PubChemLite - Phosphonic acid, (3-(ethyl((pentadecafluoroheptyl)sulfonyl)amino)propyl)-, diethyl ester (C16H21F15NO5PS)

Structural Information

Molecular Formula

SMILES

CCN(CCCP(=O)(OCC)OCC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H21F15NO5PS/c1-4-32(8-7-9-38(33,36-5-2)37-6-3)39(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h4-9H2,1-3H3

InChIKey

TZKLRKQCIBXVQE-UHFFFAOYSA-N

Compound name

N-(3-diethoxyphosphorylpropyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-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]+	656.07112	211.3
[M+Na]+	678.05306	215.0
[M-H]-	654.05656	221.0
[M+NH4]+	673.09766	225.8
[M+K]+	694.02700	224.2
[M+H-H2O]+	638.06110	193.7
[M+HCOO]-	700.06204	229.1
[M+CH3COO]-	714.07769	262.2
[M+Na-2H]-	676.03851	204.2
[M]+	655.06329	212.2
[M]-	655.06439	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

656.07112

211.3

[M+Na]+

678.05306

215.0

[M-H]-

654.05656

221.0

[M+NH4]+

673.09766

225.8

[M+K]+

694.02700

224.2

[M+H-H2O]+

638.06110

193.7

[M+HCOO]-

700.06204

229.1

[M+CH3COO]-

714.07769

262.2

[M+Na-2H]-

676.03851

204.2

[M]+

655.06329

212.2

[M]-

655.06439

212.2

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((pentadecafluoroheptyl)sulfonyl)amino)propyl)-, diethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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