CID 4408836

O,o'-ethylene bis(3-chloropropionate)

Structural Information

Molecular Formula

C₈H₁₂Cl₂O₄

SMILES

C(CCl)C(=O)OCCOC(=O)CCCl

InChI

InChI=1S/C8H12Cl2O4/c9-3-1-7(11)13-5-6-14-8(12)2-4-10/h1-6H2

InChIKey

BYAAJQODLNAQQQ-UHFFFAOYSA-N

Compound name

2-(3-chloropropanoyloxy)ethyl 3-chloropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 242.01126 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]+	243.01854	146.5
[M+Na]+	265.00048	156.5
[M+NH4]+	260.04508	152.7
[M+K]+	280.97442	151.2
[M-H]-	241.00398	143.9
[M+Na-2H]-	262.98593	148.6
[M]+	242.01071	147.4
[M]-	242.01181	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe