PubChemLite - Etfpespeg, m=7 (C23H38F11NO10S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCOCCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C23H38F11NO10S/c1-2-35(46(37,38)23(33,34)21(28,29)19(24,25)20(26,27)22(30,31)32)3-5-39-7-9-41-11-13-43-15-17-45-18-16-44-14-12-42-10-8-40-6-4-36/h36H,2-18H2,1H3

InChIKey

BCENPODTOPUPCS-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentane-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]+	730.21138	228.8
[M+Na]+	752.19332	229.3
[M-H]-	728.19682	232.5
[M+NH4]+	747.23792	240.6
[M+K]+	768.16726	237.2
[M+H-H2O]+	712.20136	219.6
[M+HCOO]-	774.20230	240.7
[M+CH3COO]-	788.21795	271.9
[M+Na-2H]-	750.17877	217.1
[M]+	729.20355	230.3
[M]-	729.20465	230.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

730.21138

228.8

[M+Na]+

752.19332

229.3

[M-H]-

728.19682

232.5

[M+NH4]+

747.23792

240.6

[M+K]+

768.16726

237.2

[M+H-H2O]+

712.20136

219.6

[M+HCOO]-

774.20230

240.7

[M+CH3COO]-

788.21795

271.9

[M+Na-2H]-

750.17877

217.1

[M]+

729.20355

230.3

[M]-

729.20465

230.3

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

Etfpespeg, m=7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe