PubChemLite - N-ethyl-n-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]perfluoro-1-octanesulfonamide (C16H18F17NO5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16H18F17NO5S/c1-2-34(3-5-38-7-8-39-6-4-35)40(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h35H,2-8H2,1H3

InChIKey

HXKXDJLFBSNDDL-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octane-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]+	660.07068	198.5
[M+Na]+	682.05262	201.6
[M-H]-	658.05612	207.5
[M+NH4]+	677.09722	210.5
[M+K]+	698.02656	212.3
[M+H-H2O]+	642.06066	186.2
[M+HCOO]-	704.06160	213.9
[M+CH3COO]-	718.07725	259.5
[M+Na-2H]-	680.03807	194.2
[M]+	659.06285	198.7
[M]-	659.06395	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

660.07068

198.5

[M+Na]+

682.05262

201.6

[M-H]-

658.05612

207.5

[M+NH4]+

677.09722

210.5

[M+K]+

698.02656

212.3

[M+H-H2O]+

642.06066

186.2

[M+HCOO]-

704.06160

213.9

[M+CH3COO]-

718.07725

259.5

[M+Na-2H]-

680.03807

194.2

[M]+

659.06285

198.7

[M]-

659.06395

198.7

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

N-ethyl-n-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]perfluoro-1-octanesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe