CID 139595395

5-(pentafluorosulfanyl)perfluoropentyl sulfonic acid

Structural Information

Molecular Formula
C5HF15O3S2
SMILES
C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(C(F)(F)S(F)(F)(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5HF15O3S2/c6-1(7,2(8,9)4(12,13)24(21,22)23)3(10,11)5(14,15)25(16,17,18,19)20/h(H,21,22,23)
InChIKey
IGYGSQLEPAJSAD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(pentafluoro-lambda6-sulfanyl)pentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

457.91275 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.92003 166.8
[M+Na]+ 480.90197 175.4
[M-H]- 456.90547 149.2
[M+NH4]+ 475.94657 165.1
[M+K]+ 496.87591 170.4
[M+H-H2O]+ 440.91001 152.0
[M+HCOO]- 502.91095 177.6
[M+CH3COO]- 516.92660 221.1
[M+Na-2H]- 478.88742 167.2
[M]+ 457.91220 147.2
[M]- 457.91330 147.2
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.