PubChemLite - Schembl4926201 (C19H26F17NO5SSi)

Structural Information

Molecular Formula

SMILES

CCN(CCC[Si](OCC)(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/C19H26F17NO5SSi/c1-5-37(10-9-11-44(40-6-2,41-7-3)42-8-4)43(38,39)19(35,36)17(30,31)15(26,27)13(22,23)12(20,21)14(24,25)16(28,29)18(32,33)34/h5-11H2,1-4H3

InChIKey

UCQJBUUWSCNBCQ-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-(3-triethoxysilylpropyl)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]+	732.11025	218.4
[M+Na]+	754.09219	221.5
[M-H]-	730.09569	228.6
[M+NH4]+	749.13679	233.3
[M+K]+	770.06613	234.5
[M+H-H2O]+	714.10023	205.4
[M+HCOO]-	776.10117	234.2
[M+CH3COO]-	790.11682	270.7
[M+Na-2H]-	752.07764	213.1
[M]+	731.10242	221.0
[M]-	731.10352	221.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.11025

218.4

[M+Na]+

754.09219

221.5

[M-H]-

730.09569

228.6

[M+NH4]+

749.13679

233.3

[M+K]+

770.06613

234.5

[M+H-H2O]+

714.10023

205.4

[M+HCOO]-

776.10117

234.2

[M+CH3COO]-

790.11682

270.7

[M+Na-2H]-

752.07764

213.1

[M]+

731.10242

221.0

[M]-

731.10352

221.0

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

Schembl4926201

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe