CID 7271

2,4,5-trichlorophenol

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

222
References

8470
Patents

195.92494 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe