CID 256107

Dimethyl benzoylphosphonate

Structural Information

Molecular Formula

C₉H₁₁O₄P

SMILES

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

InChI

InChI=1S/C9H11O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

TWNVJLOWMINFMB-UHFFFAOYSA-N

Compound name

dimethoxyphosphoryl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 196
Patents: 214.03949 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]+	215.046766	144.6
[M+Na]+	237.028708	152.0
[M-H]-	213.032214	147.3
[M+NH4]+	232.073313	163.6
[M+K]+	253.002648	151.9
[M+H-H2O]+	197.036750	136.7
[M+HCOO]-	259.037691	173.1
[M+CH3COO]-	273.053341	185.8
[M+Na-2H]-	235.014156	148.7
[M]+	214.03894142	149.3
[M]-	214.04003858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe