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-chloro-3-pyridinyl)-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]+ 241.988246 144.3
[M+Na]+ 263.970188 156.5
[M-H]- 239.973694 145.4
[M+NH4]+ 259.014793 158.5
[M+K]+ 279.944128 149.5
[M+H-H2O]+ 223.978230 136.5
[M+HCOO]- 285.979171 155.1
[M+CH3COO]- 299.994821 156.4
[M+Na-2H]- 261.955636 151.1
[M]+ 240.98042142 145.9
[M]- 240.98151858 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