Spectrum Details
MiMe ID:MMDBc0054250
Compound Name:3,5-dichlorocatechol
Derivative IUPAC Name:3,5-dichloro-2-[(trimethylsilyl)oxy]phenol
Derivative SMILES:C[Si](C)(C)OC1=C(O)C=C(Cl)C=C1Cl
Derivative InChIKey:InChIKey=XBXDRAVITPJFMF-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C6H4Cl2O2
Molecular Weight (Monoisotopic Mass):177.9588 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References