CID 84650716

3-(trifluoromethyl)thietan-3-ol

Structural Information

Molecular Formula
C4H5F3OS
SMILES
C1C(CS1)(C(F)(F)F)O
InChI
InChI=1S/C4H5F3OS/c5-4(6,7)3(8)1-9-2-3/h8H,1-2H2
InChIKey
UZKVYLSQUJJJIB-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)thietan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.00133 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00861 135.2
[M+Na]+ 180.99055 138.1
[M+NH4]+ 176.03515 139.2
[M+K]+ 196.96449 132.7
[M-H]- 156.99405 129.0
[M+Na-2H]- 178.97600 136.4
[M]+ 158.00078 133.0
[M]- 158.00188 133.0
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

No patent data available for this compound.