Dataset

Chlorfenapyr; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01133501 contains the MS2 mass spectrum of Chlorfenapyr with the InChIkey CWFOCCVIPCEQCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3
SMILES CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl
InChI Key CWFOCCVIPCEQCK-UHFFFAOYSA-N
Molecular Formula C15H11BrClF3N2O
Exact Mass 405.969 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01133501
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MetadataPublished 2023-04-27
Related Molecule
  • 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:39347 chebi
    CHEMBL1869551 chembl
    40337 surechembl
    91778 pubchem
    NWI20P05EB fdasrs
    PD078824 probes_and_drugs
    BOKTEE CCDC
    252946 brenda
    The data in this table is sourced from UniChem at EBI.