PubChemLite - Etfhxspeg, m=5 (C20H30F13NO8S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H30F13NO8S/c1-2-34(3-5-38-7-9-40-11-13-42-14-12-41-10-8-39-6-4-35)43(36,37)20(32,33)18(27,28)16(23,24)15(21,22)17(25,26)19(29,30)31/h35H,2-14H2,1H3

InChIKey

SKWPYPIIXCBZHD-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexane-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]+	692.15572	213.7
[M+Na]+	714.13766	215.4
[M-H]-	690.14116	219.4
[M+NH4]+	709.18226	225.5
[M+K]+	730.11160	224.2
[M+H-H2O]+	674.14570	203.3
[M+HCOO]-	736.14664	227.2
[M+CH3COO]-	750.16229	265.5
[M+Na-2H]-	712.12311	204.9
[M]+	691.14789	214.5
[M]-	691.14899	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

692.15572

213.7

[M+Na]+

714.13766

215.4

[M-H]-

690.14116

219.4

[M+NH4]+

709.18226

225.5

[M+K]+

730.11160

224.2

[M+H-H2O]+

674.14570

203.3

[M+HCOO]-

736.14664

227.2

[M+CH3COO]-

750.16229

265.5

[M+Na-2H]-

712.12311

204.9

[M]+

691.14789

214.5

[M]-

691.14899

214.5

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

Etfhxspeg, m=5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe