Dataset

Dichlobenil; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA008406 contains the MS2 mass spectrum of Dichlobenil with the InChIkey YOYAIZYFCNQIRF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
SMILES c1(c(cccc1Cl)Cl)C#N
InChI Key YOYAIZYFCNQIRF-UHFFFAOYSA-N
Molecular Formula C7H3Cl2N
Exact Mass 170.964 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA008406
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • 2,6-dichlorobenzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:943 chebi
    CHEMBL3039332 chembl
    55606 surechembl
    3031 pubchem
    N42NR4196R fdasrs
    PD220750 probes_and_drugs
    FUQJEG CCDC
    37993 brenda
    HMDB0245512 hmdb
    The data in this table is sourced from UniChem at EBI.