CID 2795329

63909-56-8

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂O₃P

SMILES

CCOP(=O)(CC1=C(C=CC=C1Cl)Cl)OCC

InChI

InChI=1S/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3

InChIKey

WMVJGOZIAJRFLQ-UHFFFAOYSA-N

Compound name

1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 296.01358 Da
Monoisotopic Mass: 3.0
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]+	297.02086	160.4
[M+Na]+	319.00280	173.5
[M+NH4]+	314.04740	167.9
[M+K]+	334.97674	166.6
[M-H]-	295.00630	160.9
[M+Na-2H]-	316.98825	165.9
[M]+	296.01303	163.0
[M]-	296.01413	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe