CID 17887

Glutaryl chloride

Structural Information

Molecular Formula

C₅H₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2

InChIKey

YVOFTMXWTWHRBH-UHFFFAOYSA-N

Compound name

pentanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 4004
Patents: 167.97449 Da
Monoisotopic Mass: 1.5
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]+	168.98177	127.5
[M+Na]+	190.96371	136.4
[M-H]-	166.96721	127.5
[M+NH4]+	186.00831	149.2
[M+K]+	206.93765	133.1
[M+H-H2O]+	150.97175	125.3
[M+HCOO]-	212.97269	141.1
[M+CH3COO]-	226.98834	176.8
[M+Na-2H]-	188.94916	131.8
[M]+	167.97394	131.3
[M]-	167.97504	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe