CID 22141100

2,2-difluoroethanethioamide

Structural Information

Molecular Formula
C2H3F2NS
SMILES
C(C(=S)N)(F)F
InChI
InChI=1S/C2H3F2NS/c3-1(4)2(5)6/h1H,(H2,5,6)
InChIKey
KTMOUVPMUKSMJP-UHFFFAOYSA-N
Compound name
2,2-difluoroethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

110.99543 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.00271 114.4
[M+Na]+ 133.98465 122.0
[M-H]- 109.98815 112.1
[M+NH4]+ 129.02925 136.8
[M+K]+ 149.95859 120.8
[M+H-H2O]+ 93.992690 108.0
[M+HCOO]- 155.99363 130.1
[M+CH3COO]- 170.00928 169.3
[M+Na-2H]- 131.97010 115.6
[M]+ 110.99488 109.9
[M]- 110.99598 109.9
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