CID 10176507

2-[(trifluoromethyl)sulfanyl]phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
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 132.0
[M+Na]+ 216.99055 141.4
[M-H]- 192.99405 131.0
[M+NH4]+ 212.03515 151.5
[M+K]+ 232.96449 137.7
[M+H-H2O]+ 176.99859 124.6
[M+HCOO]- 238.99953 146.0
[M+CH3COO]- 253.01518 177.6
[M+Na-2H]- 214.97600 135.7
[M]+ 194.00078 129.3
[M]- 194.00188 129.3
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