CID 13618

2,3,6-trichlorophenol

Structural Information

Molecular Formula
C6H3Cl3O
SMILES
C1=CC(=C(C(=C1Cl)O)Cl)Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKey
XGCHAIDDPMFRLJ-UHFFFAOYSA-N
Compound name
2,3,6-trichlorophenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4
References

567
Patents

195.92494 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.93222 129.9
[M+Na]+ 218.91416 141.8
[M-H]- 194.91766 131.4
[M+NH4]+ 213.95876 150.5
[M+K]+ 234.88810 136.0
[M+H-H2O]+ 178.92220 128.1
[M+HCOO]- 240.92314 139.0
[M+CH3COO]- 254.93879 179.7
[M+Na-2H]- 216.89961 134.9
[M]+ 195.92439 132.3
[M]- 195.92549 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.