CID 206739

Diethyl o-tolylphosphonate

Structural Information

Molecular Formula

C₁₁H₁₇O₃P

SMILES

CCOP(=O)(C1=CC=CC=C1C)OCC

InChI

InChI=1S/C11H17O3P/c1-4-13-15(12,14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3

InChIKey

XKEVSSUXQVVUNO-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 228.09154 Da
Monoisotopic Mass: 2.1
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]+	229.09882	150.8
[M+Na]+	251.08076	162.3
[M+NH4]+	246.12536	158.0
[M+K]+	267.05470	156.7
[M-H]-	227.08426	151.4
[M+Na-2H]-	249.06621	156.3
[M]+	228.09099	152.5
[M]-	228.09209	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe