CID 86719005

1273422-87-9

Structural Information

Molecular Formula

C₆H₄BrNO₂

SMILES

C1=CC(=C(N=C1C=O)Br)O

InChI

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

InChIKey

GUZSKPDJJLLECU-UHFFFAOYSA-N

Compound name

6-bromo-5-hydroxypyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 200.94254 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]+	201.949816	128.2
[M+Na]+	223.931758	141.5
[M-H]-	199.935264	132.7
[M+NH4]+	218.976363	149.4
[M+K]+	239.905698	130.7
[M+H-H2O]+	183.939800	128.6
[M+HCOO]-	245.940741	149.2
[M+CH3COO]-	259.956391	178.5
[M+Na-2H]-	221.917206	137.3
[M]+	200.94199142	147.2
[M]-	200.94308858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe