CID 16414231

405174-97-2

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H4BrNO/c7-5-2-1-3-8-6(5)4-9/h1-4H

InChIKey

DCOPXKMVVJNPSW-UHFFFAOYSA-N

Compound name

3-bromopyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 625
Patents: 184.94763 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]+	185.95491	127.6
[M+Na]+	207.93685	132.3
[M+NH4]+	202.98145	132.8
[M+K]+	223.91079	131.9
[M-H]-	183.94035	128.0
[M+Na-2H]-	205.92230	132.6
[M]+	184.94708	127.2
[M]-	184.94818	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe