Dataset

3',4'-DICHLOROACETOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011108 contains the MS mass spectrum of 3',4'-DICHLOROACETOPHENONE with the InChIkey WBPAOUHWPONFEQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
SMILES CC(=O)c(c1)cc(Cl)c(Cl)c1
InChI Key WBPAOUHWPONFEQ-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O
Exact Mass 187.980 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-JP011108
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-(3,4-dichlorophenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4640796 chembl
    29655535 surechembl
    313211 surechembl
    8478583 surechembl
    75841 pubchem
    YIFDUN CCDC
    Molport-000-871-226 molport
    The data in this table is sourced from UniChem at EBI.