CID 3057415

Diallyl benzylphosphonate

Structural Information

Molecular Formula

C₁₃H₁₇O₃P

SMILES

C=CCOP(=O)(CC1=CC=CC=C1)OCC=C

InChI

InChI=1S/C13H17O3P/c1-3-10-15-17(14,16-11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2

InChIKey

IKQAFKAZFYQHEL-UHFFFAOYSA-N

Compound name

bis(prop-2-enoxy)phosphorylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 252.09154 Da
Monoisotopic Mass: 2.3
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]+	253.09882	159.9
[M+Na]+	275.08076	166.2
[M-H]-	251.08426	161.7
[M+NH4]+	270.12536	177.3
[M+K]+	291.05470	163.3
[M+H-H2O]+	235.08880	151.2
[M+HCOO]-	297.08974	187.9
[M+CH3COO]-	311.10539	194.1
[M+Na-2H]-	273.06621	162.8
[M]+	252.09099	164.4
[M]-	252.09209	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe