Metabolomics Structure Database

 
MW REGNO: 67536
Common Name:4,4'-Dichlorobenzophenone
Systematic Name:bis(4-chlorophenyl)methanone
Synonyms:Bis(4-chlorophenyl) ketone; DCBP; Methanone, bis(4-chlorophenyl)-; Bis(4-chlorophenyl)methanone [PubChem Synonyms]
Exact Mass:
249.9952 (neutral)    Calculate m/z:
Formula:C13H8Cl2O
InChIKey:OKISUZLXOYGIFP-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzophenones [C0000120]
ClassyFire direct parent:Benzophenones [C0000120]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:c1cc(ccc1C(=O)c1ccc(cc1)Cl)Cl
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:7034
BMRB ID:bmse000517
NP-MRD ID(NMR):NP0002768
EPA CompTox DB:DTXCID1017626
Plant Metabolite Hub(Pmhub):MS000013864

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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