CID 3091576

5,6-dichloropyridazin-4-ol

Structural Information

Molecular Formula

C₄H₂Cl₂N₂O

SMILES

C1=NNC(=C(C1=O)Cl)Cl

InChI

InChI=1S/C4H2Cl2N2O/c5-3-2(9)1-7-8-4(3)6/h1H,(H,8,9)

InChIKey

LUJMIPOVLHIWDD-UHFFFAOYSA-N

Compound name

5,6-dichloro-1H-pyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.95442 Da
Monoisotopic Mass: 1.6
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]+	164.961696	122.7
[M+Na]+	186.943638	134.9
[M-H]-	162.947144	122.3
[M+NH4]+	181.988243	141.6
[M+K]+	202.917578	129.8
[M+H-H2O]+	146.951680	117.9
[M+HCOO]-	208.952621	135.3
[M+CH3COO]-	222.968271	171.3
[M+Na-2H]-	184.929086	130.5
[M]+	163.95387142	124.0
[M]-	163.95496858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe