CID 165882294

4,4,5,5,5-pentafluoropentane-1-sulfonamide

Structural Information

Molecular Formula
C5H8F5NO2S
SMILES
C(CC(C(F)(F)F)(F)F)CS(=O)(=O)N
InChI
InChI=1S/C5H8F5NO2S/c6-4(7,5(8,9)10)2-1-3-14(11,12)13/h1-3H2,(H2,11,12,13)
InChIKey
BOOCWNDQGIQNIP-UHFFFAOYSA-N
Compound name
4,4,5,5,5-pentafluoropentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01959 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02687 141.3
[M+Na]+ 264.00881 149.4
[M-H]- 240.01231 134.7
[M+NH4]+ 259.05341 158.3
[M+K]+ 279.98275 146.6
[M+H-H2O]+ 224.01685 132.5
[M+HCOO]- 286.01779 151.1
[M+CH3COO]- 300.03344 189.0
[M+Na-2H]- 261.99426 144.3
[M]+ 241.01904 135.6
[M]- 241.02014 135.6
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

No patent data available for this compound.