CID 75234

Phosphonic acid, phenyl-, dimethyl ester

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

3
Annotation Hits: 0
References: 4517
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]+	187.051866	139.0
[M+Na]+	209.033808	146.9
[M-H]-	185.037314	141.7
[M+NH4]+	204.078413	159.4
[M+K]+	225.007748	146.5
[M+H-H2O]+	169.041850	131.3
[M+HCOO]-	231.042791	168.3
[M+CH3COO]-	245.058441	180.9
[M+Na-2H]-	207.019256	144.6
[M]+	186.04404142	143.2
[M]-	186.04513858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe