PubChemLite - Phosphonic acid, (3-(ethyl((heptadecafluorooctyl)sulfonyl)amino)propyl)-, diethyl ester (C17H21F17NO5PS)

Structural Information

Molecular Formula

SMILES

CCN(CCCP(=O)(OCC)OCC)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/C17H21F17NO5PS/c1-4-35(8-7-9-41(36,39-5-2)40-6-3)42(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h4-9H2,1-3H3

InChIKey

CGWCDHWSHVIYSL-UHFFFAOYSA-N

Compound name

N-(3-diethoxyphosphorylpropyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-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]+	706.06795	219.0
[M+Na]+	728.04989	222.1
[M-H]-	704.05339	229.9
[M+NH4]+	723.09449	234.2
[M+K]+	744.02383	233.1
[M+H-H2O]+	688.05793	200.6
[M+HCOO]-	750.05887	236.2
[M+CH3COO]-	764.07452	268.3
[M+Na-2H]-	726.03534	212.3
[M]+	705.06012	220.2
[M]-	705.06122	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

706.06795

219.0

[M+Na]+

728.04989

222.1

[M-H]-

704.05339

229.9

[M+NH4]+

723.09449

234.2

[M+K]+

744.02383

233.1

[M+H-H2O]+

688.05793

200.6

[M+HCOO]-

750.05887

236.2

[M+CH3COO]-

764.07452

268.3

[M+Na-2H]-

726.03534

212.3

[M]+

705.06012

220.2

[M]-

705.06122

220.2

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

Phosphonic acid, (3-(ethyl((heptadecafluorooctyl)sulfonyl)amino)propyl)-, diethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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