Dataset

Diflufenican

This MassBank record with Accession MSBNK-BAFG-CSL23111015163 contains the MS2 mass spectrum of Diflufenican with the InChIkey WYEHFWKAOXOVJD-UHFFFAOYSA-N.

Chemical Info

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 C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F
InChI Key WYEHFWKAOXOVJD-UHFFFAOYSA-N
Molecular Formula C19H11F5N2O2
Exact Mass 394.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111015163
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T11:58:25.421549
MetadataModified 2025-02-08T21:08:24.034431
MetadataPublished 2023-11-10
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.