PubChemLite - Etfospeg, m=4 (C20H26F17NO7S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCO)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/C20H26F17NO7S/c1-2-38(3-5-42-7-9-44-11-12-45-10-8-43-6-4-39)46(40,41)20(36,37)18(31,32)16(27,28)14(23,24)13(21,22)15(25,26)17(29,30)19(33,34)35/h39H,2-12H2,1H3

InChIKey

VXCNTHGDUBTQBX-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-hydroxyethoxy)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]+	748.12312	215.6
[M+Na]+	770.10506	217.1
[M-H]-	746.10856	224.3
[M+NH4]+	765.14966	228.7
[M+K]+	786.07900	229.1
[M+H-H2O]+	730.11310	203.0
[M+HCOO]-	792.11404	229.3
[M+CH3COO]-	806.12969	271.7
[M+Na-2H]-	768.09051	208.9
[M]+	747.11529	216.5
[M]-	747.11639	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

748.12312

215.6

[M+Na]+

770.10506

217.1

[M-H]-

746.10856

224.3

[M+NH4]+

765.14966

228.7

[M+K]+

786.07900

229.1

[M+H-H2O]+

730.11310

203.0

[M+HCOO]-

792.11404

229.3

[M+CH3COO]-

806.12969

271.7

[M+Na-2H]-

768.09051

208.9

[M]+

747.11529

216.5

[M]-

747.11639

216.5

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

Etfospeg, m=4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe