CID 57459591

2,4-dibromonicotinonitrile

Structural Information

Molecular Formula

C₆H₂Br₂N₂

SMILES

C1=CN=C(C(=C1Br)C#N)Br

InChI

InChI=1S/C6H2Br2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H

InChIKey

QQRBWXRCIWAXAU-UHFFFAOYSA-N

Compound name

2,4-dibromopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 259.85846 Da
Monoisotopic Mass: 2.3
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]+	260.86574	142.3
[M+Na]+	282.84768	139.3
[M+NH4]+	277.89228	143.0
[M+K]+	298.82162	142.7
[M-H]-	258.85118	139.2
[M+Na-2H]-	280.83313	143.4
[M]+	259.85791	139.6
[M]-	259.85901	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe