CID 78694

2322-38-5

Structural Information

Molecular Formula

SMILES

C1(=C(NC(=C(C1=O)Cl)Cl)Cl)Cl

InChI

InChI=1S/C5HCl4NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)

InChIKey

RURNAQBVEXFRFC-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrachloro-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 17
Patents: 230.88123 Da
Monoisotopic Mass: 3.5
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]+	231.88851	135.6
[M+Na]+	253.87045	147.9
[M-H]-	229.87395	134.2
[M+NH4]+	248.91505	152.9
[M+K]+	269.84439	141.8
[M+H-H2O]+	213.87849	133.2
[M+HCOO]-	275.87943	137.9
[M+CH3COO]-	289.89508	186.1
[M+Na-2H]-	251.85590	138.7
[M]+	230.88068	136.3
[M]-	230.88178	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe