CID 15569987

4,4'-dibromo-2,2'-bipyridine

Structural Information

Molecular Formula

C₁₀H₆Br₂N₂

SMILES

C1=CN=C(C=C1Br)C2=NC=CC(=C2)Br

InChI

InChI=1S/C10H6Br2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-6H

InChIKey

KIIHBDSNVJRWFY-UHFFFAOYSA-N

Compound name

4-bromo-2-(4-bromo-2-pyridinyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 219
Patents: 311.88977 Da
Monoisotopic Mass: 2.9
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]+	312.897046	138.5
[M+Na]+	334.878988	150.1
[M-H]-	310.882494	146.0
[M+NH4]+	329.923593	155.4
[M+K]+	350.852928	135.0
[M+H-H2O]+	294.887030	146.5
[M+HCOO]-	356.887971	154.4
[M+CH3COO]-	370.903621	152.9
[M+Na-2H]-	332.864436	148.1
[M]+	311.88922142	172.6
[M]-	311.89031858	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe