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

105
Patents

194.00133 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.008606 132.0
[M+Na]+ 216.990548 141.4
[M-H]- 192.994054 131.0
[M+NH4]+ 212.035153 151.5
[M+K]+ 232.964488 137.7
[M+H-H2O]+ 176.998590 124.6
[M+HCOO]- 238.999531 146.0
[M+CH3COO]- 253.015181 177.6
[M+Na-2H]- 214.975996 135.7
[M]+ 194.00078142 129.3
[M]- 194.00187858 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