CID 46736828

5-bromo-3-methoxypicolinic acid

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

COC1=C(N=CC(=C1)Br)C(=O)O

InChI

InChI=1S/C7H6BrNO3/c1-12-5-2-4(8)3-9-6(5)7(10)11/h2-3H,1H3,(H,10,11)

InChIKey

UTRZGSGCVSZCCL-UHFFFAOYSA-N

Compound name

5-bromo-3-methoxypyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 230.95311 Da
Monoisotopic Mass: 1.4
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]+	231.96039	138.2
[M+Na]+	253.94233	141.3
[M+NH4]+	248.98693	141.7
[M+K]+	269.91627	142.8
[M-H]-	229.94583	137.0
[M+Na-2H]-	251.92778	140.9
[M]+	230.95256	136.9
[M]-	230.95366	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe