PubChemLite - Etfospeg, m=7 (C26H38F17NO10S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCOCCO)S(=O)(=O)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

InChI

InChI=1S/C26H38F17NO10S/c1-2-44(3-5-48-7-9-50-11-13-52-15-17-54-18-16-53-14-12-51-10-8-49-6-4-45)55(46,47)26(42,43)24(37,38)22(33,34)20(29,30)19(27,28)21(31,32)23(35,36)25(39,40)41/h45H,2-18H2,1H3

InChIKey

KLXHHEWWHKVGFT-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]octane-1-sulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	880.20178	242.6
[M+Na]+	902.18372	241.7
[M-H]-	878.18722	250.9
[M+NH4]+	897.22832	257.3
[M+K]+	918.15766	255.7
[M+H-H2O]+	862.19176	229.6
[M+HCOO]-	924.19270	253.6
[M+CH3COO]-	938.20835	289.0
[M+Na-2H]-	900.16917	232.5
[M]+	879.19395	245.6
[M]-	879.19505	245.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

880.20178

242.6

[M+Na]+

902.18372

241.7

[M-H]-

878.18722

250.9

[M+NH4]+

897.22832

257.3

[M+K]+

918.15766

255.7

[M+H-H2O]+

862.19176

229.6

[M+HCOO]-

924.19270

253.6

[M+CH3COO]-

938.20835

289.0

[M+Na-2H]-

900.16917

232.5

[M]+

879.19395

245.6

[M]-

879.19505

245.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Etfospeg, m=7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe