CID 139595118

9-(pentafluorosulfanyl)perfluorononyl sulfonic acid

Structural Information

Molecular Formula
C9HF23O3S2
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(F)(F)(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9HF23O3S2/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)36(33,34)35)3(14,15)5(18,19)7(22,23)9(26,27)37(28,29,30,31)32/h(H,33,34,35)
InChIKey
GQDNCVBSGIWYLZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluoro-9-(pentafluoro-lambda6-sulfanyl)nonane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.89996 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.90724 163.6
[M+Na]+ 680.88918 163.7
[M+NH4]+ 675.93378 163.7
[M+K]+ 696.86312 164.1
[M-H]- 656.89268 163.6
[M+Na-2H]- 678.87463 164.1
[M]+ 657.89941 163.6
[M]- 657.90051 163.6
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

No patent data available for this compound.