CID 13038

Phenyl dichlorophosphate

Structural Information

Molecular Formula

C₆H₅Cl₂O₂P

SMILES

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

InChI

InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H

InChIKey

TXFOLHZMICYNRM-UHFFFAOYSA-N

Compound name

dichlorophosphoryloxybenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 8
References: 9556
Patents: 209.94041 Da
Monoisotopic Mass: 2.8
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]+	210.94769	135.5
[M+Na]+	232.92963	145.8
[M-H]-	208.93313	138.1
[M+NH4]+	227.97423	156.4
[M+K]+	248.90357	141.7
[M+H-H2O]+	192.93767	130.1
[M+HCOO]-	254.93861	155.7
[M+CH3COO]-	268.95426	181.4
[M+Na-2H]-	230.91508	141.3
[M]+	209.93986	140.6
[M]-	209.94096	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe