CID 22024419

3-amino-4-bromo-6-chloropyridazine

Structural Information

Molecular Formula

C₄H₃BrClN₃

SMILES

C1=C(C(=NN=C1Cl)N)Br

InChI

InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)

InChIKey

FGOWNGCSUSKHQI-UHFFFAOYSA-N

Compound name

4-bromo-6-chloropyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 858
Patents: 206.91989 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]+	207.92717	127.0
[M+Na]+	229.90911	141.4
[M-H]-	205.91261	130.9
[M+NH4]+	224.95371	147.7
[M+K]+	245.88305	128.8
[M+H-H2O]+	189.91715	126.9
[M+HCOO]-	251.91809	144.1
[M+CH3COO]-	265.93374	182.4
[M+Na-2H]-	227.89456	136.6
[M]+	206.91934	145.5
[M]-	206.92044	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe