CID 75234

Dimethyl phenylphosphonate

Structural Information

Molecular Formula

C₈H₁₁O₃P

SMILES

COP(=O)(C1=CC=CC=C1)OC

InChI

InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

OXDOANYFRLHSML-UHFFFAOYSA-N

Compound name

dimethoxyphosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4962
Patents: 186.04459 Da
Monoisotopic Mass: 0.9
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]+	187.05187	138.0
[M+Na]+	209.03381	149.7
[M+NH4]+	204.07841	145.6
[M+K]+	225.00775	144.6
[M-H]-	185.03731	138.6
[M+Na-2H]-	207.01926	144.5
[M]+	186.04404	139.7
[M]-	186.04514	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe