Dataset

Flurochloridone

This MassBank record with Accession MSBNK-Eawag-EQ00354906 contains the MS2 mass spectrum of Flurochloridone with the InChIkey OQZCSNDVOWYALR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2
SMILES C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl
InChI Key OQZCSNDVOWYALR-UHFFFAOYSA-N
Molecular Formula C12H10Cl2F3NO
Exact Mass 311.009 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-EQ00354906
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:53:50.134753
MetadataModified 2025-02-09T09:53:50.338855
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91677 PubChem
SCHEMBL54056 SureChEMBL
15292351 PubChem: Thomson Pharma
61213-25-0 ACToR
501230 eMolecules
163096 Brenda
CHEMBL2272973 ChEMBL
MCULE-3568324860 Mcule
CB3125940 ChemicalBook
HMDB0252372 Human Metabolome Database
J265.193I Nikkaji
5131 ChEBI
DTXSID0041987 EPA CompTox Dashboard
C11100 KEGG Ligand
The data in this table is sourced from UniChem at EBI.