Dataset

Fluopicolide

This MassBank record with Accession MSBNK-Eawag-EQ00348301 contains the MS2 mass spectrum of Fluopicolide with the InChIkey GBOYJIHYACSLGN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)
SMILES C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl
InChI Key GBOYJIHYACSLGN-UHFFFAOYSA-N
Molecular Formula C14H8Cl3F3N2O
Exact Mass 381.965 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00348301
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:30:47.506063
MetadataModified 2025-02-09T09:30:47.700266
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CIGLEK CCDC
J2.290.044G Nikkaji
CHEMBL3560526 ChEMBL
DTXSID7034624 EPA CompTox Dashboard
6TRO75M67P FDA SRS
C18464 KEGG Ligand
ZINC000035822503 ZINC
11159021 PubChem
81764 ChEBI
16526390 PubChem: Thomson Pharma
SCHEMBL21950 SureChEMBL
239110-15-7 ACToR
PD095734 ProbesDrugs
23904782 eMolecules
The data in this table is sourced from UniChem at EBI.