CID 69990

Phenylphosphonic dichloride

Structural Information

Molecular Formula

C₆H₅Cl₂OP

SMILES

C1=CC=C(C=C1)P(=O)(Cl)Cl

InChI

InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

InChIKey

IBDMRHDXAQZJAP-UHFFFAOYSA-N

Compound name

dichlorophosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 4679
Patents: 193.94551 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]+	194.95279	134.0
[M+Na]+	216.93473	148.3
[M+NH4]+	211.97933	143.4
[M+K]+	232.90867	141.1
[M-H]-	192.93823	135.6
[M+Na-2H]-	214.92018	142.0
[M]+	193.94496	137.1
[M]-	193.94606	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe