CID 52911241

1214323-32-6

Structural Information

Molecular Formula

C₆H₃BrClNO₂

SMILES

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

InChI

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

InChIKey

CBDQVZVCRLQAOD-UHFFFAOYSA-N

Compound name

3-bromo-2-chloropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 234.90356 Da
Monoisotopic Mass: 2.0
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