CID 8296

Bis(2-chloroethyl) vinylphosphonate

Structural Information

Molecular Formula

C₆H₁₁Cl₂O₃P

SMILES

C=CP(=O)(OCCCl)OCCCl

InChI

InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2

InChIKey

LHHMNJZNWUJFOC-UHFFFAOYSA-N

Compound name

1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1346
Patents: 231.98228 Da
Monoisotopic Mass: 1.1
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]+	232.989556	144.4
[M+Na]+	254.971498	153.6
[M-H]-	230.975004	143.5
[M+NH4]+	250.016103	164.5
[M+K]+	270.945438	149.7
[M+H-H2O]+	214.979540	139.8
[M+HCOO]-	276.980481	163.5
[M+CH3COO]-	290.996131	187.2
[M+Na-2H]-	252.956946	148.0
[M]+	231.98173142	152.5
[M]-	231.98282858	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe