CID 817678

3-amino-2,6-dibromopyridine

Structural Information

Molecular Formula

C₅H₄Br₂N₂

SMILES

C1=CC(=NC(=C1N)Br)Br

InChI

InChI=1S/C5H4Br2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2

InChIKey

CRTOIQFRVBJJRI-UHFFFAOYSA-N

Compound name

2,6-dibromopyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
Patents: 249.87411 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]+	250.88139	140.1
[M+Na]+	272.86333	135.6
[M+NH4]+	267.90793	142.3
[M+K]+	288.83727	142.0
[M-H]-	248.86683	141.1
[M+Na-2H]-	270.84878	142.3
[M]+	249.87356	138.6
[M]-	249.87466	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe