CID 19880158

3,3-difluoropropanethioamide

Structural Information

Molecular Formula
C3H5F2NS
SMILES
C(C(F)F)C(=S)N
InChI
InChI=1S/C3H5F2NS/c4-2(5)1-3(6)7/h2H,1H2,(H2,6,7)
InChIKey
UCFNTACHHIWRPC-UHFFFAOYSA-N
Compound name
3,3-difluoropropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.01108 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.01836 122.6
[M+Na]+ 148.00030 129.7
[M+NH4]+ 143.04490 129.6
[M+K]+ 163.97424 124.0
[M-H]- 124.00380 119.8
[M+Na-2H]- 145.98575 124.3
[M]+ 125.01053 122.7
[M]- 125.01163 122.7
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