CID 69785

Perfluorooctanesulfonamide

Structural Information

Molecular Formula
C8H2F17NO2S
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
InChIKey
RRRXPPIDPYTNJG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

175
References

1831
Patents

498.9535 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.96078 163.8
[M+Na]+ 521.94272 163.8
[M+NH4]+ 516.98732 163.5
[M+K]+ 537.91666 164.0
[M-H]- 497.94622 162.3
[M+Na-2H]- 519.92817 163.9
[M]+ 498.95295 163.3
[M]- 498.95405 163.3
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