CID 1516508

381233-96-1

Structural Information

Molecular Formula

C₅H₄BrIN₂

SMILES

C1=C(C=NC(=C1I)N)Br

InChI

InChI=1S/C5H4BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)

InChIKey

XPERZSKJGNUSHI-UHFFFAOYSA-N

Compound name

5-bromo-3-iodopyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 639
Patents: 297.86026 Da
Monoisotopic Mass: 1.8
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]+	298.867536	138.3
[M+Na]+	320.849478	144.1
[M-H]-	296.852984	136.7
[M+NH4]+	315.894083	155.1
[M+K]+	336.823418	138.9
[M+H-H2O]+	280.857520	134.2
[M+HCOO]-	342.858461	155.5
[M+CH3COO]-	356.874111	189.9
[M+Na-2H]-	318.834926	135.3
[M]+	297.85971142	151.5
[M]-	297.86080858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe