CID 162396525

Dtxsid801033591

Structural Information

Molecular Formula
C19H22F21N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C19H22F21N2O4S/c1-42(2,7-9-44)6-3-4-41(5-8-43)47(45,46)19(39,40)17(34,35)15(30,31)13(26,27)11(22,23)10(20,21)12(24,25)14(28,29)16(32,33)18(36,37)38/h43-44H,3-9H2,1-2H3/q+1
InChIKey
JCHZOWBNNQVSOU-UHFFFAOYSA-N
Compound name
3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfonyl(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

773.0965 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.10378 231.7
[M+Na]+ 796.08572 233.3
[M-H]- 772.08922 245.6
[M+NH4]+ 791.13032 243.7
[M+K]+ 812.05966 246.2
[M+H-H2O]+ 756.09376 212.4
[M+HCOO]- 818.09470 246.6
[M+CH3COO]- 832.11035 269.0
[M+Na-2H]- 794.07117 226.7
[M]+ 773.09595 229.5
[M]- 773.09705 229.5
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.