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]+ 226.98859 141.1
[M+Na]+ 248.97053 152.9
[M-H]- 224.97403 141.7
[M+NH4]+ 244.01513 154.9
[M+K]+ 264.94447 146.9
[M+H-H2O]+ 208.97857 131.7
[M+HCOO]- 270.97951 151.7
[M+CH3COO]- 284.99516 153.1
[M+Na-2H]- 246.95598 149.6
[M]+ 225.98076 143.3
[M]- 225.98186 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