CID 22725686

4,4,4-trifluorobutane-1-sulfonamide

Structural Information

Molecular Formula
C4H8F3NO2S
SMILES
C(CC(F)(F)F)CS(=O)(=O)N
InChI
InChI=1S/C4H8F3NO2S/c5-4(6,7)2-1-3-11(8,9)10/h1-3H2,(H2,8,9,10)
InChIKey
ZIAVJFAEJPKNJB-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 132.3
[M+Na]+ 214.011998 140.6
[M-H]- 190.015504 128.5
[M+NH4]+ 209.056603 151.7
[M+K]+ 229.985938 138.4
[M+H-H2O]+ 174.020040 125.3
[M+HCOO]- 236.020981 146.2
[M+CH3COO]- 250.036631 179.6
[M+Na-2H]- 211.997446 135.9
[M]+ 191.02223142 129.6
[M]- 191.02332858 129.6
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