CID 69879

772-79-2

Structural Information

Molecular Formula

C₆H₄Cl₃O₂P

SMILES

C1=CC(=CC=C1OP(=O)(Cl)Cl)Cl

InChI

InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

InChIKey

CCZMQYGSXWZFKI-UHFFFAOYSA-N

Compound name

1-chloro-4-dichlorophosphoryloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 922
Patents: 243.90144 Da
Monoisotopic Mass: 3.4
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]+	244.90872	140.0
[M+Na]+	266.89066	151.1
[M-H]-	242.89416	141.9
[M+NH4]+	261.93526	159.7
[M+K]+	282.86460	146.1
[M+H-H2O]+	226.89870	135.4
[M+HCOO]-	288.89964	154.5
[M+CH3COO]-	302.91529	188.1
[M+Na-2H]-	264.87611	144.2
[M]+	243.90089	145.4
[M]-	243.90199	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe