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

24
Patents

125.01108 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.018356 118.9
[M+Na]+ 148.000298 126.2
[M-H]- 124.003804 116.4
[M+NH4]+ 143.044903 140.8
[M+K]+ 163.974238 124.7
[M+H-H2O]+ 108.008340 112.4
[M+HCOO]- 170.009281 134.3
[M+CH3COO]- 184.024931 172.3
[M+Na-2H]- 145.985746 119.6
[M]+ 125.01053142 114.8
[M]- 125.01162858 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