CID 29836

19856-35-0

Structural Information

Molecular Formula

C₈H₁₂Cl₂O₄

SMILES

COC(=O)C(CCC(C(=O)OC)Cl)Cl

InChI

InChI=1S/C8H12Cl2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h5-6H,3-4H2,1-2H3

InChIKey

LZZAVDUOZHTOMA-UHFFFAOYSA-N

Compound name

dimethyl 2,5-dichlorohexanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 242.01126 Da
Monoisotopic Mass: 2.0
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]+	243.01854	146.4
[M+Na]+	265.00048	155.8
[M+NH4]+	260.04508	152.5
[M+K]+	280.97442	152.2
[M-H]-	241.00398	143.5
[M+Na-2H]-	262.98593	147.9
[M]+	242.01071	147.1
[M]-	242.01181	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe