CID 22251544

Sodium 5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonate

Structural Information

Molecular Formula
C8H9F9O3S
SMILES
C(CCS(=O)(=O)O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F9O3S/c9-5(10,3-1-2-4-21(18,19)20)6(11,12)7(13,14)8(15,16)17/h1-4H2,(H,18,19,20)
InChIKey
JWJFBKZNPONKIG-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.01288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02016 193.8
[M+Na]+ 379.00210 193.6
[M+NH4]+ 374.04670 192.5
[M+K]+ 394.97604 190.7
[M-H]- 355.00560 184.7
[M+Na-2H]- 376.98755 189.5
[M]+ 356.01233 191.0
[M]- 356.01343 191.0
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