CID 67165

Azelaoyl chloride

Structural Information

Molecular Formula

C₉H₁₄Cl₂O₂

SMILES

C(CCCC(=O)Cl)CCCC(=O)Cl

InChI

InChI=1S/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2

InChIKey

HGEVGSTXQGZPCL-UHFFFAOYSA-N

Compound name

nonanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1583
Patents: 224.03708 Da
Monoisotopic Mass: 3.5
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]+	225.04436	146.0
[M+Na]+	247.02630	156.7
[M+NH4]+	242.07090	153.2
[M+K]+	263.00024	150.1
[M-H]-	223.02980	144.5
[M+Na-2H]-	245.01175	148.8
[M]+	224.03653	147.4
[M]-	224.03763	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe