CID 57469563

6-bromo-4-iodonicotinaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(C(=CN=C1Br)C=O)I

InChI

InChI=1S/C6H3BrINO/c7-6-1-5(8)4(3-10)2-9-6/h1-3H

InChIKey

CXBDGTKAOOLNPV-UHFFFAOYSA-N

Compound name

6-bromo-4-iodopyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 310.84427 Da
Monoisotopic Mass: 2.0
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]+	311.85155	136.3
[M+Na]+	333.83349	142.9
[M-H]-	309.83699	135.2
[M+NH4]+	328.87809	153.2
[M+K]+	349.80743	138.2
[M+H-H2O]+	293.84153	132.8
[M+HCOO]-	355.84247	153.4
[M+CH3COO]-	369.85812	190.0
[M+Na-2H]-	331.81894	134.0
[M]+	310.84372	152.3
[M]-	310.84482	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe