CID 119084821

1335051-77-8

Structural Information

Molecular Formula

C₁₀H₈BrN₃

SMILES

C1=CC(=CN=C1)C2=C(N=CC(=C2)Br)N

InChI

InChI=1S/C10H8BrN3/c11-8-4-9(10(12)14-6-8)7-2-1-3-13-5-7/h1-6H,(H2,12,14)

InChIKey

SIMQQHUUNNWOQR-UHFFFAOYSA-N

Compound name

5-bromo-3-pyridin-3-ylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 248.99016 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]+	249.99744	145.4
[M+Na]+	271.97938	151.0
[M+NH4]+	267.02398	150.5
[M+K]+	287.95332	149.9
[M-H]-	247.98288	148.1
[M+Na-2H]-	269.96483	152.1
[M]+	248.98961	145.9
[M]-	248.99071	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe