CID 15642

Diethyl phenylphosphonate

Structural Information

Molecular Formula

C₁₀H₁₅O₃P

SMILES

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

InChI

InChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

VZEGPPPCKHRYGO-UHFFFAOYSA-N

Compound name

diethoxyphosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6176
Patents: 214.07588 Da
Monoisotopic Mass: 1.8
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]+	215.08316	146.9
[M+Na]+	237.06510	158.2
[M+NH4]+	232.10970	154.2
[M+K]+	253.03904	152.6
[M-H]-	213.06860	147.4
[M+Na-2H]-	235.05055	152.9
[M]+	214.07533	148.5
[M]-	214.07643	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe