CID 99269

Phenyl-p-phenylphosphonochloridate

Structural Information

Molecular Formula

C₁₂H₁₀ClO₂P

SMILES

C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)Cl

InChI

InChI=1S/C12H10ClO2P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H

InChIKey

QEJXQVSIYPMBQC-UHFFFAOYSA-N

Compound name

[chloro(phenyl)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 252.0107 Da
Monoisotopic Mass: 3.6
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]+	253.01798	152.5
[M+Na]+	274.99992	167.7
[M+NH4]+	270.04452	161.6
[M+K]+	290.97386	159.7
[M-H]-	251.00342	156.5
[M+Na-2H]-	272.98537	162.8
[M]+	252.01015	156.2
[M]-	252.01125	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe