CID 165364251

606967-06-0

Structural Information

Molecular Formula
C13H20F9NO6S2
SMILES
CCCCCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H20F9NO6S2/c1-2-3-4-5-6-23(7-9(24)8-30(25,26)27)31(28,29)13(21,22)11(16,17)10(14,15)12(18,19)20/h9,24H,2-8H2,1H3,(H,25,26,27)
InChIKey
ZVNQGBXLIBQUMY-UHFFFAOYSA-N
Compound name
3-[hexyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

521.05884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.06612 209.2
[M+Na]+ 544.04806 206.8
[M+NH4]+ 539.09266 206.5
[M+K]+ 560.02200 204.6
[M-H]- 520.05156 199.4
[M+Na-2H]- 542.03351 203.7
[M]+ 521.05829 205.9
[M]- 521.05939 205.9
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.