Dataset

2,4-DICHLOROPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000007 contains the MS 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 Oc(c1)c(Cl)cc(Cl)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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000007
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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.