CID 120946

995-55-1

Structural Information

Molecular Formula

C₁₃H₂₉O₃PS

SMILES

CCCCCCCCCSP(=O)(OCC)OCC

InChI

InChI=1S/C13H29O3PS/c1-4-7-8-9-10-11-12-13-18-17(14,15-5-2)16-6-3/h4-13H2,1-3H3

InChIKey

WFSDONNDPVGOGJ-UHFFFAOYSA-N

Compound name

1-diethoxyphosphorylsulfanylnonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.1575 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

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]+	297.16478	174.5
[M+Na]+	319.14672	178.7
[M-H]-	295.15022	172.5
[M+NH4]+	314.19132	191.1
[M+K]+	335.12066	176.5
[M+H-H2O]+	279.15476	165.8
[M+HCOO]-	341.15570	195.5
[M+CH3COO]-	355.17135	204.5
[M+Na-2H]-	317.13217	172.1
[M]+	296.15695	185.0
[M]-	296.15805	185.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.