CID 53485189

1060805-66-4

Structural Information

Molecular Formula

C₆H₃BrClNO₂

SMILES

C1=C(C=C(N=C1C(=O)O)Cl)Br

InChI

InChI=1S/C6H3BrClNO2/c7-3-1-4(6(10)11)9-5(8)2-3/h1-2H,(H,10,11)

InChIKey

LURFXJAIIJVQFA-UHFFFAOYSA-N

Compound name

4-bromo-6-chloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 234.90356 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]+	235.91084	132.5
[M+Na]+	257.89278	146.5
[M-H]-	233.89628	137.0
[M+NH4]+	252.93738	153.2
[M+K]+	273.86672	134.1
[M+H-H2O]+	217.90082	133.7
[M+HCOO]-	279.90176	148.2
[M+CH3COO]-	293.91741	183.0
[M+Na-2H]-	255.87823	140.2
[M]+	234.90301	152.7
[M]-	234.90411	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe