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

11
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 118.9
[M+Na]+ 148.00030 126.2
[M-H]- 124.00380 116.4
[M+NH4]+ 143.04490 140.8
[M+K]+ 163.97424 124.7
[M+H-H2O]+ 108.00834 112.4
[M+HCOO]- 170.00928 134.3
[M+CH3COO]- 184.02493 172.3
[M+Na-2H]- 145.98575 119.6
[M]+ 125.01053 114.8
[M]- 125.01163 114.8
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