Dataset

2,4-Dichlorophenol; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00021054 contains the MS2 mass spectrum of 2,4-Dichlorophenol with the InChIkey HFZWRUODUSTPEG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
SMILES OC1=C(Cl)C=C(Cl)C=C1
InChI Key HFZWRUODUSTPEG-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
Exact Mass 161.964 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-EQ00021054
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MetadataPublished 2024-06-14
Related Molecule
  • 2,4-dichlorophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:16738 chebi
    5JC rcsb_pdb
    CHEMBL1143 chembl
    30396784 surechembl
    77936 surechembl
    8449 pubchem
    R669TG1950 fdasrs
    PD124041 probes_and_drugs
    DCPHOM CCDC
    125729 brenda
    1368 brenda
    5JC - Ideal conformer pdbe
    HMDB0004811 hmdb
    Molport-001-787-360 molport
    The data in this table is sourced from UniChem at EBI.