Dataset

Picolinafen

This MassBank record with Accession MSBNK-Athens_Univ-AU231957 contains the MS2 mass spectrum of Picolinafen with the InChIkey CWKFPEBMTGKLKX-UHFFFAOYSA-N.

Chemical Info

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 376.083 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU231957
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:17.720334
MetadataModified 2024-01-11T09:49:17.862945
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3294375 PubChem
SCHEMBL54805 SureChEMBL
ZINC000002526569 ZINC
J2.724.014C Nikkaji
DTXSID8044339 EPA CompTox Dashboard
138736 ChEBI
502888 eMolecules
CB7289660 ChemicalBook
16834224 PubChem: Thomson Pharma
137641-05-5 ACToR
VJE2EX3SNN FDA SRS
The data in this table is sourced from UniChem at EBI.