CID 12392416

65873-73-6

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

COC1=C(C=C(C=N1)C=O)Br

InChI

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

InChIKey

VLMXWVKBXMBEQR-UHFFFAOYSA-N

Compound name

5-bromo-6-methoxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
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]+	215.965466	131.6
[M+Na]+	237.947408	145.0
[M-H]-	213.950914	137.3
[M+NH4]+	232.992013	153.1
[M+K]+	253.921348	134.9
[M+H-H2O]+	197.955450	131.7
[M+HCOO]-	259.956391	153.8
[M+CH3COO]-	273.972041	183.8
[M+Na-2H]-	235.932856	140.8
[M]+	214.95764142	152.8
[M]-	214.95873858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe