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

3
Annotation Hits: 0
References: 1090
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]+	232.98956	143.9
[M+Na]+	254.97150	154.3
[M+NH4]+	250.01610	150.6
[M+K]+	270.94544	148.6
[M-H]-	230.97500	141.3
[M+Na-2H]-	252.95695	146.7
[M]+	231.98173	144.9
[M]-	231.98283	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe