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

4
Annotation Hits: 8
References: 8395
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	150.9
[M+Na]+	261.04195	157.9
[M-H]-	237.04545	150.1
[M+NH4]+	256.08655	169.9
[M+K]+	277.01589	153.2
[M+H-H2O]+	221.04999	147.7
[M+HCOO]-	283.05093	162.9
[M+CH3COO]-	297.06658	191.5
[M+Na-2H]-	259.02740	152.5
[M]+	238.05218	156.7
[M]-	238.05328	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe