PubChemLite - 2-(n-(1,1-dihydroperfluoroundecylsulfonyl)-n-methylamino)ethyl acrylate (C17H12F21NO4S)

Structural Information

Molecular Formula

SMILES

CN(CCOC(=O)C=C)S(=O)(=O)CC(C(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)(F)F)(F)F

InChI

InChI=1S/C17H12F21NO4S/c1-3-7(40)43-5-4-39(2)44(41,42)6-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h3H,1,4-6H2,2H3

InChIKey

XGSOKOQKZXARCB-UHFFFAOYSA-N

Compound name

2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecylsulfonyl(methyl)amino]ethyl prop-2-enoate

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]+	726.02248	212.2
[M+Na]+	748.00442	216.7
[M-H]-	724.00792	225.8
[M+NH4]+	743.04902	228.3
[M+K]+	763.97836	229.9
[M+H-H2O]+	708.01246	199.6
[M+HCOO]-	770.01340	227.4
[M+CH3COO]-	784.02905	267.4
[M+Na-2H]-	745.98987	210.5
[M]+	725.01465	213.0
[M]-	725.01575	213.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

726.02248

212.2

[M+Na]+

748.00442

216.7

[M-H]-

724.00792

225.8

[M+NH4]+

743.04902

228.3

[M+K]+

763.97836

229.9

[M+H-H2O]+

708.01246

199.6

[M+HCOO]-

770.01340

227.4

[M+CH3COO]-

784.02905

267.4

[M+Na-2H]-

745.98987

210.5

[M]+

725.01465

213.0

[M]-

725.01575

213.0

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

2-(n-(1,1-dihydroperfluoroundecylsulfonyl)-n-methylamino)ethyl acrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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