CID 11669093

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide

Structural Information

Molecular Formula
C8H6F13NO2S
SMILES
C(CS(=O)(=O)N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F13NO2S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
InChIKey
SQAFCSVGKMMETM-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

17
Patents

426.99118 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.998456 175.1
[M+Na]+ 449.980398 182.9
[M-H]- 425.983904 160.2
[M+NH4]+ 445.025003 160.5
[M+K]+ 465.954338 179.2
[M+H-H2O]+ 409.988440 160.9
[M+HCOO]- 471.989381 174.5
[M+CH3COO]- 486.005031 223.2
[M+Na-2H]- 447.965846 177.8
[M]+ 426.99063142 156.3
[M]- 426.99172858 156.3
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