CID 109968

N-methylperfluorobutanesulfonamide

Structural Information

Molecular Formula
C5H4F9NO2S
SMILES
CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
InChIKey
GFZPUWKGPNHWHD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

232
Patents

312.9819 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.98918 150.6
[M+Na]+ 335.97112 159.2
[M-H]- 311.97462 140.2
[M+NH4]+ 331.01572 164.3
[M+K]+ 351.94506 156.4
[M+H-H2O]+ 295.97916 139.2
[M+HCOO]- 357.98010 154.0
[M+CH3COO]- 371.99575 202.7
[M+Na-2H]- 333.95657 154.9
[M]+ 312.98135 138.9
[M]- 312.98245 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe