Dataset

Bistrifluron

This MassBank record with Accession MSBNK-Eawag-EQ01120902 contains the MS2 mass spectrum of Bistrifluron with the InChIkey YNKFZRGTXAPYFD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H7ClF8N2O2/c17-12-7(16(23,24)25)4-6(15(20,21)22)5-10(12)26-14(29)27-13(28)11-8(18)2-1-3-9(11)19/h1-5H,(H2,26,27,28,29)
SMILES C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=CC(=C2Cl)C(F)(F)F)C(F)(F)F)F
InChI Key YNKFZRGTXAPYFD-UHFFFAOYSA-N
Molecular Formula C16H7ClF8N2O2
Exact Mass 446.007 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-EQ01120902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:31:03.300093
MetadataModified 2025-02-09T09:40:41.366974
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10275455 PubChem
ZINC000043058489 ZINC
XUXNOT CCDC
DTXSID0058013 EPA CompTox Dashboard
J1.571.714I Nikkaji
0806M8CX7O FDA SRS
CB71484017 ChemicalBook
201593-84-2 ACToR
SCHEMBL65405 SureChEMBL
15280460 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.