CID 2777892

3-(trifluoromethylthio)phenol

Structural Information

Molecular Formula
C7H5F3OS
SMILES
C1=CC(=CC(=C1)SC(F)(F)F)O
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKey
FRSIRCKEPOPEFZ-UHFFFAOYSA-N
Compound name
3-(trifluoromethylsulfanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

194.00133 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00861 140.9
[M+Na]+ 216.99055 150.0
[M+NH4]+ 212.03515 147.4
[M+K]+ 232.96449 143.1
[M-H]- 192.99405 138.1
[M+Na-2H]- 214.97600 144.9
[M]+ 194.00078 141.6
[M]- 194.00188 141.6
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