CID 84032494

2551114-60-2

Structural Information

Molecular Formula

C₇H₃BrClN₃O₂

SMILES

C1=CC(=NN2C1=NC(=C2Br)C(=O)O)Cl

InChI

InChI=1S/C7H3BrClN3O2/c8-6-5(7(13)14)10-4-2-1-3(9)11-12(4)6/h1-2H,(H,13,14)

InChIKey

HNGUMMBTNAQKNS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 274.90973 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe