CID 46739441

1133116-49-0

Structural Information

Molecular Formula

C₆H₃Br₂NO₂

SMILES

C1=CC(=NC(=C1Br)C(=O)O)Br

InChI

InChI=1S/C6H3Br2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)

InChIKey

YHHZRFKRFAFHRJ-UHFFFAOYSA-N

Compound name

3,6-dibromopyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 278.85306 Da
Monoisotopic Mass: 2.4
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]+	279.86034	130.9
[M+Na]+	301.84228	142.5
[M-H]-	277.84578	136.1
[M+NH4]+	296.88688	149.2
[M+K]+	317.81622	127.3
[M+H-H2O]+	261.85032	139.0
[M+HCOO]-	323.85126	145.9
[M+CH3COO]-	337.86691	197.9
[M+Na-2H]-	299.82773	138.6
[M]+	278.85251	164.7
[M]-	278.85361	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe