CID 139596005

Pfsmsbte n=4

Structural Information

Molecular Formula
C14H24F9N2O7S2
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C14H23F9N2O7S2/c1-25(2,8-10(27)9-33(28,29)30)6-3-4-24(5-7-26)34(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h10,26-27H,3-9H2,1-2H3/p+1
InChIKey
LZCFGHIYPLLDEX-UHFFFAOYSA-O
Compound name
3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.08813 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.09541 183.0
[M+Na]+ 590.07735 184.9
[M+NH4]+ 585.12195 186.1
[M+K]+ 606.05129 187.1
[M-H]- 566.08085 182.4
[M+Na-2H]- 588.06280 181.1
[M]+ 567.08758 184.0
[M]- 567.08868 184.0
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.