CID 4425751

Trifluoroethanethioamide

Structural Information

Molecular Formula
C2H2F3NS
SMILES
C(=S)(C(F)(F)F)N
InChI
InChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey
VZBAIMIVLDKBTE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

128.98601 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.99329 116.5
[M+Na]+ 151.97523 124.9
[M-H]- 127.97873 113.0
[M+NH4]+ 147.01983 138.3
[M+K]+ 167.94917 123.1
[M+H-H2O]+ 111.98327 109.7
[M+HCOO]- 173.98421 130.7
[M+CH3COO]- 187.99986 170.8
[M+Na-2H]- 149.96068 118.9
[M]+ 128.98546 110.8
[M]- 128.98656 110.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe