CID 59761816

1060806-59-8

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

COC1=NC=CC(=C1C=O)Br

InChI

InChI=1S/C7H6BrNO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3

InChIKey

FOXOFDINDZCXJZ-UHFFFAOYSA-N

Compound name

4-bromo-2-methoxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.95819 Da
Monoisotopic Mass: 1.3
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]+	215.96547	131.6
[M+Na]+	237.94741	145.0
[M-H]-	213.95091	137.3
[M+NH4]+	232.99201	153.1
[M+K]+	253.92135	134.9
[M+H-H2O]+	197.95545	131.7
[M+HCOO]-	259.95639	153.8
[M+CH3COO]-	273.97204	183.8
[M+Na-2H]-	235.93286	140.8
[M]+	214.95764	152.8
[M]-	214.95874	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe