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

22
Patents

125.01108 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.018356 118.9
[M+Na]+ 148.000298 126.8
[M-H]- 124.003804 116.6
[M+NH4]+ 143.044903 140.9
[M+K]+ 163.974238 125.2
[M+H-H2O]+ 108.008340 112.9
[M+HCOO]- 170.009281 133.9
[M+CH3COO]- 184.024931 171.7
[M+Na-2H]- 145.985746 121.3
[M]+ 125.01053142 114.9
[M]- 125.01162858 114.9
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