CID 61034

Adipoyl chloride

Structural Information

Molecular Formula

C₆H₈Cl₂O₂

SMILES

C(CCC(=O)Cl)CC(=O)Cl

InChI

InChI=1S/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2

InChIKey

PWAXUOGZOSVGBO-UHFFFAOYSA-N

Compound name

hexanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 11788
Patents: 181.99013 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]+	182.99741	132.2
[M+Na]+	204.97935	140.8
[M-H]-	180.98285	132.1
[M+NH4]+	200.02395	153.3
[M+K]+	220.95329	137.2
[M+H-H2O]+	164.98739	129.8
[M+HCOO]-	226.98833	145.5
[M+CH3COO]-	241.00398	179.7
[M+Na-2H]-	202.96480	135.9
[M]+	181.98958	136.4
[M]-	181.99068	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe