CID 72207465

1234616-07-9

Structural Information

Molecular Formula
C8H6BrN3O2
SMILES
COC(=O)C1=NN2C(=NC=C2Br)C=C1
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)5-2-3-7-10-4-6(9)12(7)11-5/h2-4H,1H3
InChIKey
GTMUMEVVAXZMNO-UHFFFAOYSA-N
Compound name
methyl 3-bromoimidazo[1,2-b]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

254.96434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.971616 141.7
[M+Na]+ 277.953558 156.6
[M-H]- 253.957064 146.3
[M+NH4]+ 272.998163 161.8
[M+K]+ 293.927498 146.4
[M+H-H2O]+ 237.961600 140.9
[M+HCOO]- 299.962541 162.2
[M+CH3COO]- 313.978191 189.4
[M+Na-2H]- 275.939006 150.5
[M]+ 254.96379142 164.5
[M]- 254.96488858 164.5
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

patents stripe