PubChemLite - Etfhxspeg, m=4 (C18H26F13NO7S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCO)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/C18H26F13NO7S/c1-2-32(3-5-36-7-9-38-11-12-39-10-8-37-6-4-33)40(34,35)18(30,31)16(25,26)14(21,22)13(19,20)15(23,24)17(27,28)29/h33H,2-12H2,1H3

InChIKey

ZEUOMACHYBCMNJ-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-hydroxyethoxy)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]+	648.12953	204.5
[M+Na]+	670.11147	207.0
[M-H]-	646.11497	210.3
[M+NH4]+	665.15607	215.6
[M+K]+	686.08541	215.1
[M+H-H2O]+	630.11951	194.2
[M+HCOO]-	692.12045	218.9
[M+CH3COO]-	706.13610	258.9
[M+Na-2H]-	668.09692	196.9
[M]+	647.12170	204.8
[M]-	647.12280	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

648.12953

204.5

[M+Na]+

670.11147

207.0

[M-H]-

646.11497

210.3

[M+NH4]+

665.15607

215.6

[M+K]+

686.08541

215.1

[M+H-H2O]+

630.11951

194.2

[M+HCOO]-

692.12045

218.9

[M+CH3COO]-

706.13610

258.9

[M+Na-2H]-

668.09692

196.9

[M]+

647.12170

204.8

[M]-

647.12280

204.8

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

Etfhxspeg, m=4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe