CID 11859

3,4,5-trichlorophenol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

11
References

640
Patents

195.92494 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.93222 131.8
[M+Na]+ 218.91416 147.7
[M+NH4]+ 213.95876 141.6
[M+K]+ 234.88810 139.8
[M-H]- 194.91766 133.9
[M+Na-2H]- 216.89961 139.5
[M]+ 195.92439 135.7
[M]- 195.92549 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe