CID 22220418

3,3,3-trifluoropropanethioamide

Structural Information

Molecular Formula
C3H4F3NS
SMILES
C(C(=S)N)C(F)(F)F
InChI
InChI=1S/C3H4F3NS/c4-3(5,6)1-2(7)8/h1H2,(H2,7,8)
InChIKey
MOHVUNKPSQGYFW-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

143.00165 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.00893 121.0
[M+Na]+ 165.99087 129.0
[M-H]- 141.99437 117.3
[M+NH4]+ 161.03547 142.3
[M+K]+ 181.96481 127.0
[M+H-H2O]+ 125.99891 114.1
[M+HCOO]- 187.99985 135.0
[M+CH3COO]- 202.01550 173.9
[M+Na-2H]- 163.97632 123.0
[M]+ 143.00110 115.7
[M]- 143.00220 115.7
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