Dataset

Diflufenican; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM838403 contains the MS2 mass spectrum of Diflufenican with the InChIkey WYEHFWKAOXOVJD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
SMILES Fc1ccc(NC(=O)c2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1
InChI Key WYEHFWKAOXOVJD-UHFFFAOYSA-N
Molecular Formula C19H11F5N2O2
Exact Mass 394.074 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-CASMI_2016-SM838403
Version
Author
Maintainer
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MetadataPublished 2016-12-12
Related Molecule
  • N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81824 chebi
    CHEMBL1425995 chembl
    22023 surechembl
    29373740 surechembl
    91735 pubchem
    3T8D1VDO6K fdasrs
    PD197626 probes_and_drugs
    ZIKXEW CCDC
    163098 brenda
    HMDB0251262 hmdb
    Molport-002-887-935 molport
    The data in this table is sourced from UniChem at EBI.