CID 71758664

1,1,1-trifluoropropane-2-sulfonamide

Structural Information

Molecular Formula
C3H6F3NO2S
SMILES
CC(C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C3H6F3NO2S/c1-2(3(4,5)6)10(7,8)9/h2H,1H3,(H2,7,8,9)
InChIKey
FAPBNZGKHKTHQD-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.00714 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01442 127.4
[M+Na]+ 199.99636 135.8
[M-H]- 175.99986 123.9
[M+NH4]+ 195.04096 147.2
[M+K]+ 215.97030 134.4
[M+H-H2O]+ 160.00440 120.7
[M+HCOO]- 222.00534 140.5
[M+CH3COO]- 236.02099 177.4
[M+Na-2H]- 197.98181 130.4
[M]+ 177.00659 123.7
[M]- 177.00769 123.7
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

No patent data available for this compound.