PubChemLite - 71463-80-4 (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	155.9
[M+Na]+	728.04989	156.0
[M+NH4]+	723.09449	156.1
[M+K]+	744.02383	156.1
[M-H]-	704.05339	155.9
[M+Na-2H]-	726.03534	155.7
[M]+	705.06012	156.0
[M]-	705.06122	156.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

706.06795

155.9

[M+Na]+

728.04989

156.0

[M+NH4]+

723.09449

156.1

[M+K]+

744.02383

156.1

[M-H]-

704.05339

155.9

[M+Na-2H]-

726.03534

155.7

[M]+

705.06012

156.0

[M]-

705.06122

156.0

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

71463-80-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe