PubChemLite - Etfhpspeg, m=7 (C25H38F15NO10S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H38F15NO10S/c1-2-41(3-5-45-7-9-47-11-13-49-15-17-51-18-16-50-14-12-48-10-8-46-6-4-42)52(43,44)25(39,40)23(34,35)21(30,31)19(26,27)20(28,29)22(32,33)24(36,37)38/h42H,2-18H2,1H3

InChIKey

BINQLFFTHFROTC-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]heptane-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]+	830.20498	237.5
[M+Na]+	852.18692	237.0
[M-H]-	828.19042	244.4
[M+NH4]+	847.23152	251.4
[M+K]+	868.16086	249.2
[M+H-H2O]+	812.19496	225.6
[M+HCOO]-	874.19590	248.8
[M+CH3COO]-	888.21155	284.0
[M+Na-2H]-	850.17237	226.8
[M]+	829.19715	239.9
[M]-	829.19825	239.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

830.20498

237.5

[M+Na]+

852.18692

237.0

[M-H]-

828.19042

244.4

[M+NH4]+

847.23152

251.4

[M+K]+

868.16086

249.2

[M+H-H2O]+

812.19496

225.6

[M+HCOO]-

874.19590

248.8

[M+CH3COO]-

888.21155

284.0

[M+Na-2H]-

850.17237

226.8

[M]+

829.19715

239.9

[M]-

829.19825

239.9

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

Etfhpspeg, m=7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe