CID 104561

2,5-dichlorophenyl dichlorophosphate

Structural Information

Molecular Formula

C₆H₃Cl₄O₂P

SMILES

C1=CC(=C(C=C1Cl)OP(=O)(Cl)Cl)Cl

InChI

InChI=1S/C6H3Cl4O2P/c7-4-1-2-5(8)6(3-4)12-13(9,10)11/h1-3H

InChIKey

LYUNTJUPGQYMJD-UHFFFAOYSA-N

Compound name

1,4-dichloro-2-dichlorophosphoryloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 277.8625 Da
Monoisotopic Mass: 4.3
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]+	278.86978	145.7
[M+Na]+	300.85172	157.1
[M-H]-	276.85522	146.4
[M+NH4]+	295.89632	163.7
[M+K]+	316.82566	151.7
[M+H-H2O]+	260.85976	141.9
[M+HCOO]-	322.86070	154.4
[M+CH3COO]-	336.87635	195.2
[M+Na-2H]-	298.83717	148.0
[M]+	277.86195	150.4
[M]-	277.86305	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe