PubChemLite - Etfpespeg, m=6 (C21H34F11NO9S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H34F11NO9S/c1-2-33(43(35,36)21(31,32)19(26,27)17(22,23)18(24,25)20(28,29)30)3-5-37-7-9-39-11-13-41-15-16-42-14-12-40-10-8-38-6-4-34/h34H,2-16H2,1H3

InChIKey

RDTAYBUELAXHKP-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-hydroxyethoxy)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]+	686.18514	218.9
[M+Na]+	708.16708	220.3
[M-H]-	684.17058	222.8
[M+NH4]+	703.21168	230.1
[M+K]+	724.14102	227.5
[M+H-H2O]+	668.17512	209.8
[M+HCOO]-	730.17606	231.8
[M+CH3COO]-	744.19171	265.3
[M+Na-2H]-	706.15253	208.5
[M]+	685.17731	219.8
[M]-	685.17841	219.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

686.18514

218.9

[M+Na]+

708.16708

220.3

[M-H]-

684.17058

222.8

[M+NH4]+

703.21168

230.1

[M+K]+

724.14102

227.5

[M+H-H2O]+

668.17512

209.8

[M+HCOO]-

730.17606

231.8

[M+CH3COO]-

744.19171

265.3

[M+Na-2H]-

706.15253

208.5

[M]+

685.17731

219.8

[M]-

685.17841

219.8

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

Etfpespeg, m=6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe