CID 139595098

Pfsmsbte n=3

Structural Information

Molecular Formula
C13H24F7N2O7S2
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C13H23F7N2O7S2/c1-22(2,8-10(24)9-30(25,26)27)6-3-4-21(5-7-23)31(28,29)13(19,20)11(14,15)12(16,17)18/h10,23-24H,3-9H2,1-2H3/p+1
InChIKey
GNFMCTIWIVRVCI-UHFFFAOYSA-O
Compound name
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(2-hydroxyethyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

517.0913 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.09858 193.3
[M+Na]+ 540.08052 195.5
[M-H]- 516.08402 200.1
[M+NH4]+ 535.12512 200.4
[M+K]+ 556.05446 197.1
[M+H-H2O]+ 500.08856 179.0
[M+HCOO]- 562.08950 207.2
[M+CH3COO]- 576.10515 228.2
[M+Na-2H]- 538.06597 185.3
[M]+ 517.09075 193.1
[M]- 517.09185 193.1
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.