CID 82382436

1889107-68-9

Structural Information

Molecular Formula

C₆H₄BrClN₂O₂

SMILES

C1=C(C(=NC(=C1Br)Cl)N)C(=O)O

InChI

InChI=1S/C6H4BrClN2O2/c7-3-1-2(6(11)12)5(9)10-4(3)8/h1H,(H2,9,10)(H,11,12)

InChIKey

ZSDPIQSHJSYDLJ-UHFFFAOYSA-N

Compound name

2-amino-5-bromo-6-chloropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 249.91447 Da
Monoisotopic Mass: 2.2
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]+	250.92175	141.2
[M+Na]+	272.90369	144.6
[M+NH4]+	267.94829	145.1
[M+K]+	288.87763	145.7
[M-H]-	248.90719	140.6
[M+Na-2H]-	270.88914	143.6
[M]+	249.91392	140.4
[M]-	249.91502	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe