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]+ 192.030056 132.1
[M+Na]+ 214.011998 140.3
[M-H]- 190.015504 128.8
[M+NH4]+ 209.056603 151.7
[M+K]+ 229.985938 138.5
[M+H-H2O]+ 174.020040 125.0
[M+HCOO]- 236.020981 146.5
[M+CH3COO]- 250.036631 180.3
[M+Na-2H]- 211.997446 136.7
[M]+ 191.02223142 130.3
[M]- 191.02332858 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