CID 573014

Diethyl allylphosphonate

Structural Information

Molecular Formula

C₇H₁₅O₃P

SMILES

CCOP(=O)(CC=C)OCC

InChI

InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3

InChIKey

YPJHXRAHMUKXAE-UHFFFAOYSA-N

Compound name

3-diethoxyphosphorylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 733
Patents: 178.07588 Da
Monoisotopic Mass: 0.8
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]+	179.083156	141.1
[M+Na]+	201.065098	148.6
[M-H]-	177.068604	140.3
[M+NH4]+	196.109703	162.1
[M+K]+	217.039038	148.4
[M+H-H2O]+	161.073140	134.6
[M+HCOO]-	223.074081	169.3
[M+CH3COO]-	237.089731	181.6
[M+Na-2H]-	199.050546	144.9
[M]+	178.07533142	147.1
[M]-	178.07642858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe