CID 98851

3,5-dibromo-2-pyridylamine

Structural Information

Molecular Formula

C₅H₄Br₂N₂

SMILES

C1=C(C=NC(=C1Br)N)Br

InChI

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

InChIKey

WJMJWMSWJSACSN-UHFFFAOYSA-N

Compound name

3,5-dibromopyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 547
Patents: 249.87411 Da
Monoisotopic Mass: 1.9
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]+	250.881386	127.3
[M+Na]+	272.863328	139.0
[M-H]-	248.866834	133.0
[M+NH4]+	267.907933	146.7
[M+K]+	288.837268	123.3
[M+H-H2O]+	232.871370	134.7
[M+HCOO]-	294.872311	144.2
[M+CH3COO]-	308.887961	197.6
[M+Na-2H]-	270.848776	136.0
[M]+	249.87356142	159.6
[M]-	249.87465858	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe