CID 25250

Diethyl (2-chloroethyl)phosphonate

Structural Information

Molecular Formula

C₆H₁₄ClO₃P

SMILES

CCOP(=O)(CCCl)OCC

InChI

InChI=1S/C6H14ClO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3

InChIKey

GMDLEOVIACJWTD-UHFFFAOYSA-N

Compound name

1-chloro-2-diethoxyphosphorylethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 75
Patents: 200.03691 Da
Monoisotopic Mass: 0.8
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]+	201.04419	142.0
[M+Na]+	223.02613	150.5
[M-H]-	199.02963	141.4
[M+NH4]+	218.07073	163.1
[M+K]+	239.00007	148.9
[M+H-H2O]+	183.03417	136.5
[M+HCOO]-	245.03511	165.9
[M+CH3COO]-	259.05076	183.5
[M+Na-2H]-	221.01158	146.1
[M]+	200.03636	150.1
[M]-	200.03746	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe