CID 22932819

2,2-difluoropropanethioamide

Structural Information

Molecular Formula
C3H5F2NS
SMILES
CC(C(=S)N)(F)F
InChI
InChI=1S/C3H5F2NS/c1-3(4,5)2(6)7/h1H3,(H2,6,7)
InChIKey
VQRVQMWGPZSNLA-UHFFFAOYSA-N
Compound name
2,2-difluoropropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

125.01108 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.01836 124.3
[M+Na]+ 148.00030 131.5
[M+NH4]+ 143.04490 131.2
[M+K]+ 163.97424 126.0
[M-H]- 124.00380 121.1
[M+Na-2H]- 145.98575 126.2
[M]+ 125.01053 124.5
[M]- 125.01163 124.5
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