Metabolomics Structure Database

 
MW REGNO: 45257
Common Name:2,4-Dibromophenol
Systematic Name:2,4-dibromophenol
RefMet Name:2,4-Dibromophenol
Synonyms: [PubChem Synonyms]
Exact Mass:
249.8629 (neutral)    Calculate m/z:
Formula:C6H4Br2O
InChIKey:FAXWFCTVSHEODL-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:Halophenols [C0002320]
ClassyFire direct parent:P-bromophenols [C0002769]
Massbank MS spectra:View MS spectra
SMILES:c1cc(c(cc1Br)Br)O
Studies:Available studies (via RefMet name)

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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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