CID 6327546

Diphenyl phosphonate

Structural Information

Molecular Formula

C₁₂H₁₀O₃P

SMILES

C1=CC=C(C=C1)O[P+](=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H10O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H/q+1

InChIKey

CDXVUROVRIFQMV-UHFFFAOYSA-N

Compound name

oxo(diphenoxy)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 15323
Patents: 233.03676 Da
Monoisotopic Mass: 3.1
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]+	234.044036	152.5
[M+Na]+	256.025978	158.9
[M-H]-	232.029484	158.2
[M+NH4]+	251.070583	169.8
[M+K]+	271.999918	151.6
[M+H-H2O]+	216.034020	145.4
[M+HCOO]-	278.034961	182.0
[M+CH3COO]-	292.050611	182.3
[M+Na-2H]-	254.011426	158.4
[M]+	233.03621142	153.6
[M]-	233.03730858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.