CID 17787411

3,3,3-trifluoropropane-1-thiol

Structural Information

Molecular Formula
C3H5F3S
SMILES
C(CS)C(F)(F)F
InChI
InChI=1S/C3H5F3S/c4-3(5,6)1-2-7/h7H,1-2H2
InChIKey
XCDTWHHINWNFHY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1510
Patents

130.00641 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01369 117.4
[M+Na]+ 152.99563 126.3
[M-H]- 128.99913 114.5
[M+NH4]+ 148.04023 140.1
[M+K]+ 168.96957 125.2
[M+H-H2O]+ 113.00367 110.9
[M+HCOO]- 175.00461 132.0
[M+CH3COO]- 189.02026 170.2
[M+Na-2H]- 150.98108 121.2
[M]+ 130.00586 115.4
[M]- 130.00696 115.4
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