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]+ 255.97162 141.7
[M+Na]+ 277.95356 156.6
[M-H]- 253.95706 146.3
[M+NH4]+ 272.99816 161.8
[M+K]+ 293.92750 146.4
[M+H-H2O]+ 237.96160 140.9
[M+HCOO]- 299.96254 162.2
[M+CH3COO]- 313.97819 189.4
[M+Na-2H]- 275.93901 150.5
[M]+ 254.96379 164.5
[M]- 254.96489 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