Dataset

Chlorothalonil R611965; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU264801 contains the MS2 mass spectrum of Chlorothalonil R611965 with the InChIkey XKFUETYLBPYNKF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H4Cl3NO3/c9-3-1-2(8(14)15)5(10)4(6(3)11)7(12)13/h1H,(H2,12,13)(H,14,15)
SMILES NC(=O)C1=C(Cl)C(Cl)=CC(C(O)=O)=C1Cl
InChI Key XKFUETYLBPYNKF-UHFFFAOYSA-N
Molecular Formula C8H4Cl3NO3
Exact Mass 266.926 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-Athens_Univ-AU264801
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
Related Molecule
  • 3-carbamoyl-2,4,5-trichlorobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19028628 PubChem
    SCHEMBL8885277 SureChEMBL
    DTXSID10597537 EPA CompTox Dashboard
    J1.542.291B Nikkaji
    The data in this table is sourced from UniChem at EBI.