CID 4980024

3-chloro-6-(6-chloropyridazin-3-yl)pyridazine

Structural Information

Molecular Formula
C8H4Cl2N4
SMILES
C1=CC(=NN=C1C2=NN=C(C=C2)Cl)Cl
InChI
InChI=1S/C8H4Cl2N4/c9-7-3-1-5(11-13-7)6-2-4-8(10)14-12-6/h1-4H
InChIKey
PBGWILRUXNFSGL-UHFFFAOYSA-N
Compound name
3-chloro-6-(6-chloropyridazin-3-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

225.98131 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.988586 141.1
[M+Na]+ 248.970528 152.9
[M-H]- 224.974034 141.7
[M+NH4]+ 244.015133 154.9
[M+K]+ 264.944468 146.9
[M+H-H2O]+ 208.978570 131.7
[M+HCOO]- 270.979511 151.7
[M+CH3COO]- 284.995161 153.1
[M+Na-2H]- 246.955976 149.6
[M]+ 225.98076142 143.3
[M]- 225.98185858 143.3
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