PubChemLite - Etfhpspeg, m=8 (C27H42F15NO11S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C27H42F15NO11S/c1-2-43(55(45,46)27(41,42)25(36,37)23(32,33)21(28,29)22(30,31)24(34,35)26(38,39)40)3-5-47-7-9-49-11-13-51-15-17-53-19-20-54-18-16-52-14-12-50-10-8-48-6-4-44/h44H,2-20H2,1H3

InChIKey

DJZCEOOTWIATQX-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-(2-hydroxyethoxy)ethoxy]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]+	874.23118	247.1
[M+Na]+	896.21312	245.8
[M-H]-	872.21662	253.9
[M+NH4]+	891.25772	261.5
[M+K]+	912.18706	258.6
[M+H-H2O]+	856.22116	235.0
[M+HCOO]-	918.22210	257.4
[M+CH3COO]-	932.23775	289.9
[M+Na-2H]-	894.19857	235.2
[M]+	873.22335	250.4
[M]-	873.22445	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

874.23118

247.1

[M+Na]+

896.21312

245.8

[M-H]-

872.21662

253.9

[M+NH4]+

891.25772

261.5

[M+K]+

912.18706

258.6

[M+H-H2O]+

856.22116

235.0

[M+HCOO]-

918.22210

257.4

[M+CH3COO]-

932.23775

289.9

[M+Na-2H]-

894.19857

235.2

[M]+

873.22335

250.4

[M]-

873.22445

250.4

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

Etfhpspeg, m=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe