Dataset

Chlorophene; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF423052 contains the MS2 mass spectrum of Chlorophene with the InChIkey NCKMMSIFQUPKCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
SMILES OC1=CC=C(Cl)C=C1CC1=CC=CC=C1
InChI Key NCKMMSIFQUPKCK-UHFFFAOYSA-N
Molecular Formula C13H11ClO
Exact Mass 218.050 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF423052
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MetadataPublished 2017-01-05
Related Molecule
  • 2-benzyl-4-chlorophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:228003 chebi
    CHEMBL1328919 chembl
    29377427 surechembl
    78119 surechembl
    8425 pubchem
    7560BB0BO3 fdasrs
    PD014066 probes_and_drugs
    HMDB0245035 hmdb
    Molport-000-145-915 molport
    The data in this table is sourced from UniChem at EBI.