CID 12361202

3,5-dibromopicolinonitrile

Structural Information

Molecular Formula

C₆H₂Br₂N₂

SMILES

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

InChI

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

InChIKey

SAKUQCVNSVHPIW-UHFFFAOYSA-N

Compound name

3,5-dibromopyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
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	117.7
[M+Na]+	282.84768	131.6
[M-H]-	258.85118	121.1
[M+NH4]+	277.89228	135.3
[M+K]+	298.82162	116.3
[M+H-H2O]+	242.85572	119.5
[M+HCOO]-	304.85666	135.4
[M+CH3COO]-	318.87231	207.1
[M+Na-2H]-	280.83313	127.0
[M]+	259.85791	144.4
[M]-	259.85901	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe