PubChemLite - Etfhxspeg, m=8 (C26H42F13NO11S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C26H42F13NO11S/c1-2-40(52(42,43)26(38,39)24(33,34)22(29,30)21(27,28)23(31,32)25(35,36)37)3-5-44-7-9-46-11-13-48-15-17-50-19-20-51-18-16-49-14-12-47-10-8-45-6-4-41/h41H,2-20H2,1H3

InChIKey

AYGWPJRSUYTWQK-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-[2-(2-hydroxyethoxy)ethoxy]ethoxy]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]+	824.23438	242.7
[M+Na]+	846.21632	241.9
[M-H]-	822.21982	247.9
[M+NH4]+	841.26092	256.2
[M+K]+	862.19026	252.7
[M+H-H2O]+	806.22436	231.9
[M+HCOO]-	868.22530	253.3
[M+CH3COO]-	882.24095	284.5
[M+Na-2H]-	844.20177	230.2
[M]+	823.22655	245.4
[M]-	823.22765	245.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

824.23438

242.7

[M+Na]+

846.21632

241.9

[M-H]-

822.21982

247.9

[M+NH4]+

841.26092

256.2

[M+K]+

862.19026

252.7

[M+H-H2O]+

806.22436

231.9

[M+HCOO]-

868.22530

253.3

[M+CH3COO]-

882.24095

284.5

[M+Na-2H]-

844.20177

230.2

[M]+

823.22655

245.4

[M]-

823.22765

245.4

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

Etfhxspeg, m=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe