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

4
Annotation Hits: 8
References: 5367
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]+	194.952786	133.1
[M+Na]+	216.934728	143.5
[M-H]-	192.938234	135.6
[M+NH4]+	211.979333	154.6
[M+K]+	232.908668	138.7
[M+H-H2O]+	176.942770	127.8
[M+HCOO]-	238.943711	152.9
[M+CH3COO]-	252.959361	179.5
[M+Na-2H]-	214.920176	138.7
[M]+	193.94496142	136.8
[M]-	193.94605858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe