CID 139596909

2-hydroxy-n,n-dimethyl-3-sulfo-n-[3-[[(perfluoroheptyl)sulfonyl]amino]propyl]-1-propanaminium

Structural Information

Molecular Formula
C15H20F15N2O6S2
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C15H19F15N2O6S2/c1-32(2,6-8(33)7-39(34,35)36)5-3-4-31-40(37,38)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h8,31,33H,3-7H2,1-2H3/p+1
InChIKey
RGCDBPJRBNLCOC-UHFFFAOYSA-O
Compound name
(2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

673.0523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.05958 159.1
[M+Na]+ 696.04152 159.4
[M+NH4]+ 691.08612 159.6
[M+K]+ 712.01546 159.7
[M-H]- 672.04502 159.1
[M+Na-2H]- 694.02697 158.8
[M]+ 673.05175 159.3
[M]- 673.05285 159.3
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.