Dataset

BifenoxH

This MassBank record with Accession MSBNK-Eawag-EQ00010804 contains the MS2 mass spectrum of BifenoxH with the InChIkey SUSRORUBZHMPCO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
SMILES COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI Key SUSRORUBZHMPCO-UHFFFAOYSA-N
Molecular Formula C14H9Cl2NO5
Exact Mass 340.986 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-EQ00010804
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:00:31.037418
MetadataModified 2025-02-09T10:00:31.233831
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000900751 ZINC
SCHEMBL38816 SureChEMBL
20207970 NMRShiftDB
KSB85XT26Y FDA SRS
39230 PubChem
14924935 PubChem: Thomson Pharma
42576-02-3 ACToR
509576 eMolecules
DTXSID1040320 EPA CompTox Dashboard
6613 ChEBI
50253063 BindingDB
AFUTAY CCDC
CB3696079 ChemicalBook
C11066 KEGG Ligand
CHEMBL449928 ChEMBL
The data in this table is sourced from UniChem at EBI.