CID 165984617

Methyl 3-bromo-6-chloroimidazo[1,2-b]pyridazine-8-carboxylate

Structural Information

Molecular Formula
C8H5BrClN3O2
SMILES
COC(=O)C1=CC(=NN2C1=NC=C2Br)Cl
InChI
InChI=1S/C8H5BrClN3O2/c1-15-8(14)4-2-6(10)12-13-5(9)3-11-7(4)13/h2-3H,1H3
InChIKey
NUKJPSNRQYKQDU-UHFFFAOYSA-N
Compound name
methyl 3-bromo-6-chloroimidazo[1,2-b]pyridazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.92538 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.932656 145.8
[M+Na]+ 311.914598 162.4
[M-H]- 287.918104 150.5
[M+NH4]+ 306.959203 165.6
[M+K]+ 327.888538 150.4
[M+H-H2O]+ 271.922640 145.5
[M+HCOO]- 333.923581 161.7
[M+CH3COO]- 347.939231 194.0
[M+Na-2H]- 309.900046 153.6
[M]+ 288.92483142 170.5
[M]- 288.92592858 170.5
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

No patent data available for this compound.