CID 21200960

80222-20-4

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=CC(=CC(=C1)O)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H5Cl3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey
KBCBGXAWDRRFAZ-UHFFFAOYSA-N
Compound name
3-(trichloromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

209.9406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94788 139.5
[M+Na]+ 232.92982 154.2
[M+NH4]+ 227.97442 148.9
[M+K]+ 248.90376 146.7
[M-H]- 208.93332 140.9
[M+Na-2H]- 230.91527 147.0
[M]+ 209.94005 143.0
[M]- 209.94115 143.0
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

patents stripe