CID 130966460

3-bromo-5-nitroisonicotinaldehyde

Structural Information

Molecular Formula

C₆H₃BrN₂O₃

SMILES

C1=C(C(=C(C=N1)Br)C=O)[N+](=O)[O-]

InChI

InChI=1S/C6H3BrN2O3/c7-5-1-8-2-6(9(11)12)4(5)3-10/h1-3H

InChIKey

KNENIXCLAGLSQY-UHFFFAOYSA-N

Compound name

3-bromo-5-nitropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 229.9327 Da
Monoisotopic Mass: 0.8
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]+	230.93998	135.2
[M+Na]+	252.92192	147.7
[M-H]-	228.92542	141.0
[M+NH4]+	247.96652	155.0
[M+K]+	268.89586	133.5
[M+H-H2O]+	212.92996	138.9
[M+HCOO]-	274.93090	158.5
[M+CH3COO]-	288.94655	180.2
[M+Na-2H]-	250.90737	145.6
[M]+	229.93215	154.1
[M]-	229.93325	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe