CID 22251544

4:4 fluorotelomer sulfonic acid

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
2
Annotation Hits

0
References

7
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 163.6
[M+Na]+ 379.00210 171.3
[M-H]- 355.00560 151.4
[M+NH4]+ 374.04670 175.3
[M+K]+ 394.97604 167.7
[M+H-H2O]+ 339.01014 152.2
[M+HCOO]- 401.01108 164.0
[M+CH3COO]- 415.02673 206.1
[M+Na-2H]- 376.98755 166.2
[M]+ 356.01233 153.5
[M]- 356.01343 153.5
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