CID 88571719

3,3,3-trifluoro-n-methylpropane-1-sulfonamide

Structural Information

Molecular Formula
C4H8F3NO2S
SMILES
CNS(=O)(=O)CCC(F)(F)F
InChI
InChI=1S/C4H8F3NO2S/c1-8-11(9,10)3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKey
XYHFKSLCAPHXSB-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.02278 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03006 132.1
[M+Na]+ 214.01200 140.3
[M-H]- 190.01550 128.8
[M+NH4]+ 209.05660 151.7
[M+K]+ 229.98594 138.5
[M+H-H2O]+ 174.02004 125.0
[M+HCOO]- 236.02098 146.5
[M+CH3COO]- 250.03663 180.3
[M+Na-2H]- 211.99745 136.7
[M]+ 191.02223 130.3
[M]- 191.02333 130.3
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