PubChemLite - Etfhxspeg, m=6 (C22H34F13NO9S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCO)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/C22H34F13NO9S/c1-2-36(3-5-40-7-9-42-11-13-44-15-16-45-14-12-43-10-8-41-6-4-37)46(38,39)22(34,35)20(29,30)18(25,26)17(23,24)19(27,28)21(31,32)33/h37H,2-16H2,1H3

InChIKey

KGWKPNIKRCLBBN-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-(2-hydroxyethoxy)ethoxy]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]+	736.18198	223.2
[M+Na]+	758.16392	224.0
[M-H]-	734.16742	228.7
[M+NH4]+	753.20852	235.5
[M+K]+	774.13786	233.5
[M+H-H2O]+	718.17196	212.6
[M+HCOO]-	780.17290	235.8
[M+CH3COO]-	794.18855	272.0
[M+Na-2H]-	756.14937	213.2
[M]+	735.17415	224.5
[M]-	735.17525	224.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

736.18198

223.2

[M+Na]+

758.16392

224.0

[M-H]-

734.16742

228.7

[M+NH4]+

753.20852

235.5

[M+K]+

774.13786

233.5

[M+H-H2O]+

718.17196

212.6

[M+HCOO]-

780.17290

235.8

[M+CH3COO]-

794.18855

272.0

[M+Na-2H]-

756.14937

213.2

[M]+

735.17415

224.5

[M]-

735.17525

224.5

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

Etfhxspeg, m=6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe