Dataset

2,41-DICHLOROBENZOPHEWONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004108 contains the MS mass spectrum of 2,41-DICHLOROBENZOPHEWONE with the InChIkey YXMYPHLWXBXNFF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
SMILES Clc(c2)ccc(c2)C(=O)c(c1)c(Cl)ccc1
InChI Key YXMYPHLWXBXNFF-UHFFFAOYSA-N
Molecular Formula C13H8Cl2O
Exact Mass 249.995 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-JP004108
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2-chlorophenyl)-(4-chlorophenyl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1862965 ChEMBL
    MEPFIA CCDC
    J37.614K Nikkaji
    DTXSID6058920 EPA CompTox Dashboard
    ZINC000000156625 ZINC
    H3N0V78I65 FDA SRS
    66558 PubChem
    85-29-0 ACToR
    SCHEMBL2991958 SureChEMBL
    15998174 PubChem: Thomson Pharma
    4927779 eMolecules
    20202081 NMRShiftDB
    MCULE-3187405027 Mcule
    CB0221304 ChemicalBook
    The data in this table is sourced from UniChem at EBI.