Dataset

Sulfentrazone

This MassBank record with Accession MSBNK-Eawag-EQ00320903 contains the MS2 mass spectrum of Sulfentrazone with the InChIkey OORLZFUTLGXMEF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3
SMILES CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl
InChI Key OORLZFUTLGXMEF-UHFFFAOYSA-N
Molecular Formula C11H10Cl2F2N4O3S
Exact Mass 385.982 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-EQ00320903
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:42.119698
MetadataModified 2025-02-09T10:03:42.315053
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1884669 ChEMBL
C11125 KEGG Ligand
J712.371J Nikkaji
HY-135745 MedChemExpress
50486212 BindingDB
9339 ChEBI
ZINC000000967720 ZINC
DTXSID6032645 EPA CompTox Dashboard
CB7677780 ChemicalBook
14756276 PubChem: Thomson Pharma
86369 PubChem
111991-58-3 ACToR
SCHEMBL44683 SureChEMBL
7TY7WT1599 FDA SRS
122836-35-5 ACToR
PD159069 ProbesDrugs
HMDB0034852 Human Metabolome Database
4405 Brenda
The data in this table is sourced from UniChem at EBI.