Dataset

Picolinafen; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF406504 contains the MS2 mass spectrum of Picolinafen with the InChIkey CWKFPEBMTGKLKX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)
SMILES FC1=CC=C(NC(=O)C2=NC(OC3=CC=CC(=C3)C(F)(F)F)=CC=C2)C=C1
InChI Key CWKFPEBMTGKLKX-UHFFFAOYSA-N
Molecular Formula C19H12F4N2O2
Exact Mass 376.084 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-UFZ-UF406504
Version
Author
Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000002526569 ZINC
    J2.724.014C Nikkaji
    DTXSID8044339 EPA CompTox Dashboard
    VJE2EX3SNN FDA SRS
    CB7289660 ChemicalBook
    16834224 PubChem: Thomson Pharma
    502888 eMolecules
    137641-05-5 ACToR
    138736 ChEBI
    SCHEMBL54805 SureChEMBL
    3294375 PubChem
    The data in this table is sourced from UniChem at EBI.