CID 56766638

2648941-19-7

Structural Information

Molecular Formula

C₇H₄ClN₃O₂

SMILES

C1=CC(=NN2C1=NC=C2C(=O)O)Cl

InChI

InChI=1S/C7H4ClN3O2/c8-5-1-2-6-9-3-4(7(12)13)11(6)10-5/h1-3H,(H,12,13)

InChIKey

KCIGXZXAPJTRTG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 196.9992 Da
Monoisotopic Mass: 1.1
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]+	198.00648	134.9
[M+Na]+	219.98842	149.2
[M+NH4]+	215.03302	142.3
[M+K]+	235.96236	145.5
[M-H]-	195.99192	134.4
[M+Na-2H]-	217.97387	140.9
[M]+	196.99865	136.9
[M]-	196.99975	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe