Dataset

4,4`-Dichlorobenzophenone

This MassBank record with Accession MSBNK-Eawag-EQ01134602 contains the MS2 mass spectrum of 4,4`-Dichlorobenzophenone with the InChIkey OKISUZLXOYGIFP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
SMILES C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
InChI Key OKISUZLXOYGIFP-UHFFFAOYSA-N
Molecular Formula C13H8Cl2O
Exact Mass 249.995 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-EQ01134602
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:11:12.734011
MetadataModified 2025-02-09T09:54:42.356423
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2735852760 Mcule
SCHEMBL51827 SureChEMBL
7034 PubChem
CB2120403 ChemicalBook
478903 eMolecules
16193313 PubChem: Thomson Pharma
90-98-2 ACToR
3MTL0YC2Q5 FDA SRS
CHEMBL1870191 ChEMBL
C06643 KEGG Ligand
J39.679F Nikkaji
CBENPH CCDC
194706 ChEBI
ZINC000000388094 ZINC
DTXSID3037626 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.