CID 12872323

3-bromo-6-chloroimidazo[1,2-b]pyridazine

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=CC(=NN2C1=NC=C2Br)Cl
InChI
InChI=1S/C6H3BrClN3/c7-4-3-9-6-2-1-5(8)10-11(4)6/h1-3H
InChIKey
PFHPKMPWBFJZEY-UHFFFAOYSA-N
Compound name
3-bromo-6-chloroimidazo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

464
Patents

230.91989 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92717 132.7
[M+Na]+ 253.90911 149.7
[M-H]- 229.91261 137.1
[M+NH4]+ 248.95371 154.8
[M+K]+ 269.88305 137.3
[M+H-H2O]+ 213.91715 132.6
[M+HCOO]- 275.91809 149.7
[M+CH3COO]- 289.93374 149.3
[M+Na-2H]- 251.89456 143.2
[M]+ 230.91934 155.1
[M]- 230.92044 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe