CID 139384119

6-chloro-3-(6-chloropyridin-3-yl)pyridazin-4-ol

Structural Information

Molecular Formula
C9H5Cl2N3O
SMILES
C1=CC(=NC=C1C2=NNC(=CC2=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2N3O/c10-7-2-1-5(4-12-7)9-6(15)3-8(11)13-14-9/h1-4H,(H,13,15)
InChIKey
YSIKAKDVXOPEFG-UHFFFAOYSA-N
Compound name
6-chloro-3-(6-chloropyridin-3-yl)-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.98097 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98825 144.3
[M+Na]+ 263.97019 156.5
[M-H]- 239.97369 145.4
[M+NH4]+ 259.01479 158.5
[M+K]+ 279.94413 149.5
[M+H-H2O]+ 223.97823 136.5
[M+HCOO]- 285.97917 155.1
[M+CH3COO]- 299.99482 156.4
[M+Na-2H]- 261.95564 151.1
[M]+ 240.98042 145.9
[M]- 240.98152 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe