CID 59313818

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

Structural Information

Molecular Formula
C7H3BrClN3O2
SMILES
C1=C(C2=NC=C(N2N=C1Cl)C(=O)O)Br
InChI
InChI=1S/C7H3BrClN3O2/c8-3-1-5(9)11-12-4(7(13)14)2-10-6(3)12/h1-2H,(H,13,14)
InChIKey
RCSSKGWYVXIEJF-UHFFFAOYSA-N
Compound name
8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

274.90973 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.91701 141.7
[M+Na]+ 297.89895 158.1
[M-H]- 273.90245 145.2
[M+NH4]+ 292.94355 161.3
[M+K]+ 313.87289 145.5
[M+H-H2O]+ 257.90699 141.7
[M+HCOO]- 319.90793 156.5
[M+CH3COO]- 333.92358 157.1
[M+Na-2H]- 295.88440 149.5
[M]+ 274.90918 164.4
[M]- 274.91028 164.4
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