CID 66072

Sebacoyl chloride

Structural Information

Molecular Formula

C₁₀H₁₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2

InChIKey

WMPOZLHMGVKUEJ-UHFFFAOYSA-N

Compound name

decanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 7973
Patents: 238.05273 Da
Monoisotopic Mass: 4.1
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]+	239.06001	150.4
[M+Na]+	261.04195	160.9
[M+NH4]+	256.08655	157.5
[M+K]+	277.01589	154.1
[M-H]-	237.04545	148.8
[M+Na-2H]-	259.02740	152.9
[M]+	238.05218	151.8
[M]-	238.05328	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe