Dataset

1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETYLENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000939 contains the MS mass spectrum of 1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETYLENE with the InChIkey UCNVFOCBFJOQAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
SMILES Clc(c2)ccc(c2)C(=C(Cl)Cl)c(c1)ccc(Cl)c1
InChI Key UCNVFOCBFJOQAL-UHFFFAOYSA-N
Molecular Formula C14H8Cl4
Exact Mass 315.938 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000939
Version
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MetadataPublished 2016-01-19
Related Molecule
  • 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL363207 ChEMBL
    C04596 KEGG Ligand
    16598 ChEBI
    J2.817G Nikkaji
    HMDB0304759 Human Metabolome Database
    DCLPEY CCDC
    50410512 BindingDB
    HY-B1986 MedChemExpress
    6WS PDBe
    DTXSID9020374 EPA CompTox Dashboard
    J1.358.644F Nikkaji
    ZINC000001530006 ZINC
    CB9776968 ChemicalBook
    3035 PubChem
    PD015509 ProbesDrugs
    80004469 NMRShiftDB
    4M7FS82U08 FDA SRS
    14919244 PubChem: Thomson Pharma
    12002-54-9 ACToR
    72-55-9 ACToR
    68679-99-2 ACToR
    SCHEMBL177472 SureChEMBL
    479705 eMolecules
    16598 Rhea
    45003 Brenda
    157564 Brenda
    MTBLC16598 Metabolights
    The data in this table is sourced from UniChem at EBI.