PubChemLite - Etfhpspeg, m=6 (C23H34F15NO9S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCO)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/C23H34F15NO9S/c1-2-39(3-5-43-7-9-45-11-13-47-15-16-48-14-12-46-10-8-44-6-4-40)49(41,42)23(37,38)21(32,33)19(28,29)17(24,25)18(26,27)20(30,31)22(34,35)36/h40H,2-16H2,1H3

InChIKey

GKUWXASXVNDDFT-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-hydroxyethoxy)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]+	786.17873	228.1
[M+Na]+	808.16067	228.4
[M-H]-	784.16417	235.1
[M+NH4]+	803.20527	241.4
[M+K]+	824.13461	239.9
[M+H-H2O]+	768.16871	216.3
[M+HCOO]-	830.16965	240.3
[M+CH3COO]-	844.18530	278.1
[M+Na-2H]-	806.14612	218.6
[M]+	785.17090	229.8
[M]-	785.17200	229.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

786.17873

228.1

[M+Na]+

808.16067

228.4

[M-H]-

784.16417

235.1

[M+NH4]+

803.20527

241.4

[M+K]+

824.13461

239.9

[M+H-H2O]+

768.16871

216.3

[M+HCOO]-

830.16965

240.3

[M+CH3COO]-

844.18530

278.1

[M+Na-2H]-

806.14612

218.6

[M]+

785.17090

229.8

[M]-

785.17200

229.8

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

Etfhpspeg, m=6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe