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]+ 289.93266 145.8
[M+Na]+ 311.91460 162.4
[M-H]- 287.91810 150.5
[M+NH4]+ 306.95920 165.6
[M+K]+ 327.88854 150.4
[M+H-H2O]+ 271.92264 145.5
[M+HCOO]- 333.92358 161.7
[M+CH3COO]- 347.93923 194.0
[M+Na-2H]- 309.90005 153.6
[M]+ 288.92483 170.5
[M]- 288.92593 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.