CID 57367943

5-bromo-4-chloronicotinic acid

Structural Information

Molecular Formula

C₆H₃BrClNO₂

SMILES

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

InChI

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

InChIKey

AEYIMKNQTWXCNI-UHFFFAOYSA-N

Compound name

5-bromo-4-chloropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 234.90356 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]+	235.91084	136.1
[M+Na]+	257.89278	140.6
[M+NH4]+	252.93738	140.6
[M+K]+	273.86672	141.1
[M-H]-	233.89628	135.5
[M+Na-2H]-	255.87823	139.6
[M]+	234.90301	135.6
[M]-	234.90411	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe