CID 2760732

2-(trifluoromethoxy)thiophenol

Structural Information

Molecular Formula
C7H5F3OS
SMILES
C1=CC=C(C(=C1)OC(F)(F)F)S
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,12H
InChIKey
CIIRSPLZNQRPGX-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
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 141.4
[M+Na]+ 216.99055 151.0
[M+NH4]+ 212.03515 148.2
[M+K]+ 232.96449 143.8
[M-H]- 192.99405 139.1
[M+Na-2H]- 214.97600 145.8
[M]+ 194.00078 142.4
[M]- 194.00188 142.4
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