CID 129952541

5-bromo-6-iodonicotinonitrile

Structural Information

Molecular Formula

C₆H₂BrIN₂

SMILES

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

InChI

InChI=1S/C6H2BrIN2/c7-5-1-4(2-9)3-10-6(5)8/h1,3H

InChIKey

FKIMKNKOSIKPPV-UHFFFAOYSA-N

Compound name

5-bromo-6-iodopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 307.8446 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]+	308.85188	133.6
[M+Na]+	330.83382	142.0
[M-H]-	306.83732	131.4
[M+NH4]+	325.87842	148.8
[M+K]+	346.80776	136.3
[M+H-H2O]+	290.84186	123.9
[M+HCOO]-	352.84280	149.5
[M+CH3COO]-	366.85845	200.8
[M+Na-2H]-	328.81927	132.0
[M]+	307.84405	142.8
[M]-	307.84515	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe