CID 4089698

2-(trifluoromethylsulfanyl)ethanol

Structural Information

Molecular Formula
C3H5F3OS
SMILES
C(CSC(F)(F)F)O
InChI
InChI=1S/C3H5F3OS/c4-3(5,6)8-2-1-7/h7H,1-2H2
InChIKey
KRRYVMQCWOCSCG-UHFFFAOYSA-N
Compound name
2-(trifluoromethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

146.00133 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00861 131.4
[M+Na]+ 168.99055 138.2
[M+NH4]+ 164.03515 137.3
[M+K]+ 184.96449 132.4
[M-H]- 144.99405 126.2
[M+Na-2H]- 166.97600 132.4
[M]+ 146.00078 130.9
[M]- 146.00188 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe