CID 82027

Diphenyl methylphosphonate

Structural Information

Molecular Formula

C₁₃H₁₃O₃P

SMILES

CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

HPUPGAFDTWIMBR-UHFFFAOYSA-N

Compound name

[methyl(phenoxy)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2600
Patents: 248.06023 Da
Monoisotopic Mass: 2.7
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]+	249.06751	155.5
[M+Na]+	271.04945	162.3
[M-H]-	247.05295	160.9
[M+NH4]+	266.09405	172.6
[M+K]+	287.02339	160.1
[M+H-H2O]+	231.05749	145.8
[M+HCOO]-	293.05843	184.4
[M+CH3COO]-	307.07408	191.7
[M+Na-2H]-	269.03490	160.6
[M]+	248.05968	158.3
[M]-	248.06078	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe