Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU231501 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 FC1=CC=C(NC(=O)C2=CC=CN=C2OC2=CC=CC(=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-Athens_Univ-AU231501
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MetadataPublished 2019-05-29
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
    SCHEMBL22023 SureChEMBL
    83164-33-4 ACToR
    14927864 PubChem: Thomson Pharma
    3T8D1VDO6K FDA SRS
    510399 eMolecules
    91735 PubChem
    MCULE-1511268316 Mcule
    ZINC000004110301 ZINC
    163098 Brenda
    CB4370925 ChemicalBook
    CHEMBL1425995 ChEMBL
    C18549 KEGG Ligand
    HY-W040206 MedChemExpress
    J246.562K Nikkaji
    81824 ChEBI
    ZIKXEW CCDC
    HMDB0251262 Human Metabolome Database
    DTXSID4041494 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.