Dataset

4,4`-Dichlorobenzophenone; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01134607 contains the MS2 mass spectrum of 4,4`-Dichlorobenzophenone with the InChIkey OKISUZLXOYGIFP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
SMILES C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
InChI Key OKISUZLXOYGIFP-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01134607
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MetadataPublished 2023-04-27
Related Molecule
  • bis(4-chlorophenyl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-2735852760 Mcule
    SCHEMBL51827 SureChEMBL
    7034 PubChem
    CB2120403 ChemicalBook
    478903 eMolecules
    16193313 PubChem: Thomson Pharma
    90-98-2 ACToR
    3MTL0YC2Q5 FDA SRS
    CHEMBL1870191 ChEMBL
    C06643 KEGG Ligand
    J39.679F Nikkaji
    CBENPH CCDC
    194706 ChEBI
    ZINC000000388094 ZINC
    DTXSID3037626 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.