RefMet Compound Details

Created with Raphaƫl 2.1.0ClClCl
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136953
RefMet name2,3,4-Trichlorobiphenyl
Systematic name2,3,4-trichloro-1,1'-biphenyl
SynonymsPubChem Synonyms
Exact mass255.961333 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC12H7Cl3View other entries in RefMet with this formula
Molecular descriptors
Molfile54942 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
InChIKeyIUYHQGMDSZOPDZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc(cc1)c1ccc(c(c1Cl)Cl)Cl
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBisphenyls
Sub ClassOther bisphenyls
Distribution of 2,3,4-Trichlorobiphenyl in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 2,3,4-Trichlorobiphenyl
External Links
Pubchem CID41541
ChEBI ID34222
KEGG IDC14357
HMDB IDHMDB0245422
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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