PubChemLite - Etfpespeg, m=4 (C17H26F11NO7S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C17H26F11NO7S/c1-2-29(3-5-33-7-9-35-11-12-36-10-8-34-6-4-30)37(31,32)17(27,28)15(22,23)13(18,19)14(20,21)16(24,25)26/h30H,2-12H2,1H3

InChIKey

NVZMMWHJJAVPIM-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)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]+	598.13268	199.7
[M+Na]+	620.11462	202.8
[M-H]-	596.11812	203.9
[M+NH4]+	615.15922	209.8
[M+K]+	636.08856	208.6
[M+H-H2O]+	580.12266	190.9
[M+HCOO]-	642.12360	214.4
[M+CH3COO]-	656.13925	251.5
[M+Na-2H]-	618.10007	191.8
[M]+	597.12485	199.9
[M]-	597.12595	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

598.13268

199.7

[M+Na]+

620.11462

202.8

[M-H]-

596.11812

203.9

[M+NH4]+

615.15922

209.8

[M+K]+

636.08856

208.6

[M+H-H2O]+

580.12266

190.9

[M+HCOO]-

642.12360

214.4

[M+CH3COO]-

656.13925

251.5

[M+Na-2H]-

618.10007

191.8

[M]+

597.12485

199.9

[M]-

597.12595

199.9

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

Etfpespeg, m=4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe