CID 206739

15286-11-0

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: 38
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	152.7
[M+Na]+	251.08076	160.2
[M-H]-	227.08426	155.2
[M+NH4]+	246.12536	171.7
[M+K]+	267.05470	159.1
[M+H-H2O]+	211.08880	144.6
[M+HCOO]-	273.08974	181.0
[M+CH3COO]-	287.10539	191.1
[M+Na-2H]-	249.06621	156.0
[M]+	228.09099	158.4
[M]-	228.09209	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe