Dataset

2-(4-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80190 contains the MS mass spectrum of 2-(4-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone with the InChIkey POUZLUJYBWGJJO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11ClO4/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,16,18-19H,5H2
SMILES C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)O)Cl
InChI Key POUZLUJYBWGJJO-UHFFFAOYSA-N
Molecular Formula C14H11ClO4
Exact Mass 278.035 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-Washington_State_Univ-BML80190
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(4-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1552100 ChEMBL
    50467457 BindingDB
    J270.619I Nikkaji
    ZINC000000058162 ZINC
    DTXSID90343857 EPA CompTox Dashboard
    592738 PubChem
    562953 eMolecules
    MCULE-6656713419 Mcule
    The data in this table is sourced from UniChem at EBI.