CID 12806018

62343-98-0

Structural Information

Molecular Formula

C₆H₁₀Cl₂O

SMILES

C(CCCl)CC(=O)CCl

InChI

InChI=1S/C6H10Cl2O/c7-4-2-1-3-6(9)5-8/h1-5H2

InChIKey

LIOIEWPUGWMDPT-UHFFFAOYSA-N

Compound name

1,6-dichlorohexan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 168.01086 Da
Monoisotopic Mass: 1.8
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]+	169.01814	131.4
[M+Na]+	191.00008	139.8
[M-H]-	167.00358	131.0
[M+NH4]+	186.04468	153.2
[M+K]+	206.97402	136.0
[M+H-H2O]+	151.00812	128.9
[M+HCOO]-	213.00906	145.1
[M+CH3COO]-	227.02471	178.0
[M+Na-2H]-	188.98553	136.2
[M]+	168.01031	135.3
[M]-	168.01141	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe