CID 2762998

3,5-dibromo-4-pyridinecarboxaldehyde

Structural Information

Molecular Formula

C₆H₃Br₂NO

SMILES

C1=C(C(=C(C=N1)Br)C=O)Br

InChI

InChI=1S/C6H3Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H

InChIKey

WPBYVMDYYFWYAY-UHFFFAOYSA-N

Compound name

3,5-dibromopyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 262.85815 Da
Monoisotopic Mass: 1.7
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]+	263.865426	126.4
[M+Na]+	285.847368	138.9
[M-H]-	261.850874	132.8
[M+NH4]+	280.891973	146.1
[M+K]+	301.821308	123.9
[M+H-H2O]+	245.855410	134.9
[M+HCOO]-	307.856351	143.3
[M+CH3COO]-	321.872001	197.7
[M+Na-2H]-	283.832816	135.8
[M]+	262.85760142	161.2
[M]-	262.85869858	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe