Dataset

Chlorfluazuron

This MassBank record with Accession MSBNK-Eawag-EQ01121551 contains the MS2 mass spectrum of Chlorfluazuron with the InChIkey UISUNVFOGSJSKD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)
SMILES C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F
InChI Key UISUNVFOGSJSKD-UHFFFAOYSA-N
Molecular Formula C20H9Cl3F5N3O3
Exact Mass 538.963 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-EQ01121551
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:07:30.383416
MetadataModified 2025-02-09T09:40:38.595110
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB6749358 ChemicalBook
ZINC000002516838 ZINC
20208886 NMRShiftDB
CHEMBL2251411 ChEMBL
SCHEMBL44257 SureChEMBL
91708 PubChem
15334547 PubChem: Thomson Pharma
71422-67-8 ACToR
Q42JG8449K FDA SRS
501284 eMolecules
J120.379G Nikkaji
TOTBIP CCDC
DTXSID5041772 EPA CompTox Dashboard
39370 ChEBI
C18426 KEGG Ligand
The data in this table is sourced from UniChem at EBI.