RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0034328
RefMet name4-Chlorocatechol
Systematic name4-chlorobenzene-1,2-diol
SynonymsPubChem Synonyms
Exact mass143.997807 (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
FormulaC6H5ClO2View other entries in RefMet with this formula
Molecular descriptors
Molfile49553 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKeyWWOBYPKUYODHDG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(c(cc1Cl)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassCatechols
Distribution of 4-Chlorocatechol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 4-Chlorocatechol
External Links
Pubchem CID16496
ChEBI ID27772
KEGG IDC02375
HMDB IDHMDB0041810
Chemspider ID15638
MetaCyc IDCPD-9152
Spectral data for 4-Chlorocatechol standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
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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