CID 70700318

5-bromo-2-methoxyisonicotinaldehyde

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

COC1=NC=C(C(=C1)C=O)Br

InChI

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

InChIKey

GSHIHNCXBSQCLM-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxypyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
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	135.1
[M+Na]+	237.94741	139.4
[M+NH4]+	232.99201	139.6
[M+K]+	253.92135	139.5
[M-H]-	213.95091	135.1
[M+Na-2H]-	235.93286	139.1
[M]+	214.95764	134.5
[M]-	214.95874	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe