CID 2733242

Dodecanedioyl dichloride

Structural Information

Molecular Formula

C₁₂H₂₀Cl₂O₂

SMILES

C(CCCCCC(=O)Cl)CCCCC(=O)Cl

InChI

InChI=1S/C12H20Cl2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2

InChIKey

CNXXEPWXNDFGIG-UHFFFAOYSA-N

Compound name

dodecanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1478
Patents: 266.08405 Da
Monoisotopic Mass: 5.2
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]+	267.09133	160.2
[M+Na]+	289.07327	166.3
[M-H]-	265.07677	159.0
[M+NH4]+	284.11787	178.1
[M+K]+	305.04721	161.2
[M+H-H2O]+	249.08131	156.6
[M+HCOO]-	311.08225	171.6
[M+CH3COO]-	325.09790	197.3
[M+Na-2H]-	287.05872	160.7
[M]+	266.08350	166.7
[M]-	266.08460	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe