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: 6613
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	148.8
[M+Na]+	237.06510	155.8
[M-H]-	213.06860	151.1
[M+NH4]+	232.10970	168.0
[M+K]+	253.03904	154.9
[M+H-H2O]+	197.07314	140.6
[M+HCOO]-	259.07408	177.4
[M+CH3COO]-	273.08973	186.9
[M+Na-2H]-	235.05055	153.2
[M]+	214.07533	153.6
[M]-	214.07643	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe