Dataset

4,4`-Difluorobenzophenonen

This MassBank record with Accession MSBNK-Athens_Univ-AU502004 contains the MS2 mass spectrum of 4,4`-Difluorobenzophenonen with the InChIkey LSQARZALBDFYQZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H8F2O/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)F)F
InChI Key LSQARZALBDFYQZ-UHFFFAOYSA-N
Molecular Formula C13H8F2O
Exact Mass 218.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502004
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:26.244448
MetadataModified 2024-01-11T09:49:26.402481
MetadataPublished 2021-04-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
479038 eMolecules
88BNC11B9C FDA SRS
345-92-6 ACToR
14916772 PubChem: Thomson Pharma
SCHEMBL238259 SureChEMBL
CB3179589 ChemicalBook
J42.003D Nikkaji
DTXSID30188062 EPA CompTox Dashboard
ZINC000000105200 ZINC
HATXIJ CCDC
MCULE-6635234232 Mcule
9582 PubChem
The data in this table is sourced from UniChem at EBI.