PubChemLite - Etfpespeg, m=5 (C19H30F11NO8S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H30F11NO8S/c1-2-31(3-5-35-7-9-37-11-13-39-14-12-38-10-8-36-6-4-32)40(33,34)19(29,30)17(24,25)15(20,21)16(22,23)18(26,27)28/h32H,2-14H2,1H3

InChIKey

MQQKTQILFYQAKB-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentane-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]+	642.15898	209.2
[M+Na]+	664.14092	211.5
[M-H]-	640.14442	213.2
[M+NH4]+	659.18552	219.9
[M+K]+	680.11486	218.0
[M+H-H2O]+	624.14896	200.3
[M+HCOO]-	686.14990	223.0
[M+CH3COO]-	700.16555	258.5
[M+Na-2H]-	662.12637	200.0
[M]+	641.15115	209.7
[M]-	641.15225	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

642.15898

209.2

[M+Na]+

664.14092

211.5

[M-H]-

640.14442

213.2

[M+NH4]+

659.18552

219.9

[M+K]+

680.11486

218.0

[M+H-H2O]+

624.14896

200.3

[M+HCOO]-

686.14990

223.0

[M+CH3COO]-

700.16555

258.5

[M+Na-2H]-

662.12637

200.0

[M]+

641.15115

209.7

[M]-

641.15225

209.7

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

Etfpespeg, m=5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe