RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136656
RefMet name2,4-Dibromophenol
Systematic name2,4-dibromophenol
SynonymsPubChem Synonyms
Exact mass249.862887 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H4Br2OView other entries in RefMet with this formula
Molecular descriptors
Molfile45257 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyFAXWFCTVSHEODL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(c(cc1Br)Br)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassHalophenols
Distribution of 2,4-Dibromophenol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 2,4-Dibromophenol
External Links
Pubchem CID12005
ChEBI ID34238
KEGG IDC14521
HMDB IDHMDB0032079
Chemspider ID11510
EPA CompToxDTXCID1030862
Spectral data for 2,4-Dibromophenol standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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