Dataset

Cyflufenamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000068 contains the MS2 mass spectrum of Cyflufenamide with the InChIkey ACMXQHFNODYQAT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
SMILES c(c3)ccc(c3)CC(=O)NC(=NOCC(C2)C2)c(c(F)1)c(ccc(F)1)C(F)(F)F
InChI Key ACMXQHFNODYQAT-UHFFFAOYSA-N
Molecular Formula C20H17F5N2O2
Exact Mass 412.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000068
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000033988475 ZINC
    CHEMBL2251733 ChEMBL
    SCHEMBL21751 SureChEMBL
    14806454 PubChem: Thomson Pharma
    81797 ChEBI
    79ID05OQ82 FDA SRS
    180409-60-3 ACToR
    CB5734702 ChemicalBook
    31260113 eMolecules
    J1.611.015I Nikkaji
    DTXSID30431727 EPA CompTox Dashboard
    135973506 PubChem
    135515530 PubChem
    136257767 PubChem
    C18516 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.