CID 90657839

3,6-dichloropyridine-2,5-dione

Structural Information

Molecular Formula

C₅HCl₂NO₂

SMILES

C1=C(C(=O)N=C(C1=O)Cl)Cl

InChI

InChI=1S/C5HCl2NO2/c6-2-1-3(9)4(7)8-5(2)10/h1H

InChIKey

NJDNYRDNVPDTJX-UHFFFAOYSA-N

Compound name

3,6-dichloropyridine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.93843 Da
Monoisotopic Mass: 1.3
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]+	177.94571	125.1
[M+Na]+	199.92765	137.4
[M-H]-	175.93115	127.6
[M+NH4]+	194.97225	145.6
[M+K]+	215.90159	133.2
[M+H-H2O]+	159.93569	121.3
[M+HCOO]-	221.93663	139.3
[M+CH3COO]-	235.95228	176.7
[M+Na-2H]-	197.91310	131.3
[M]+	176.93788	127.9
[M]-	176.93898	127.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.