CID 72212497

1196145-13-7

Structural Information

Molecular Formula

C₆H₄BrNO₂

SMILES

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

InChI

InChI=1S/C6H4BrNO2/c7-6-1-4(3-9)5(10)2-8-6/h1-3,10H

InChIKey

AECQZMXEHNJXAW-UHFFFAOYSA-N

Compound name

2-bromo-5-hydroxypyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 200.94254 Da
Monoisotopic Mass: 1.5
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]+	201.94982	128.2
[M+Na]+	223.93176	141.5
[M-H]-	199.93526	132.7
[M+NH4]+	218.97636	149.4
[M+K]+	239.90570	130.7
[M+H-H2O]+	183.93980	128.6
[M+HCOO]-	245.94074	149.2
[M+CH3COO]-	259.95639	178.5
[M+Na-2H]-	221.91721	137.3
[M]+	200.94199	147.2
[M]-	200.94309	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe