CID 6327869

Diphenylphosphine oxide

Structural Information

Molecular Formula

C₁₂H₁₀OP

SMILES

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

InChI

InChI=1S/C12H10OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1

InChIKey

YFPJFKYCVYXDJK-UHFFFAOYSA-N

Compound name

oxo(diphenyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 84
References: 20963
Patents: 201.04692 Da
Monoisotopic Mass: 2.5
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]+	202.05420	146.0
[M+Na]+	224.03614	152.6
[M-H]-	200.03964	151.7
[M+NH4]+	219.08074	164.7
[M+K]+	240.01008	144.2
[M+H-H2O]+	184.04418	139.5
[M+HCOO]-	246.04512	175.0
[M+CH3COO]-	260.06077	178.4
[M+Na-2H]-	222.02159	151.7
[M]+	201.04637	144.4
[M]-	201.04747	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe