CID 156852064

2704631-14-9

Structural Information

Molecular Formula

C₇H₅BrFNO₃

SMILES

COC1=NC=C(C(=C1F)C(=O)O)Br

InChI

InChI=1S/C7H5BrFNO3/c1-13-6-5(9)4(7(11)12)3(8)2-10-6/h2H,1H3,(H,11,12)

InChIKey

BRKZFMPBXYSPIX-UHFFFAOYSA-N

Compound name

5-bromo-3-fluoro-2-methoxypyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 248.94368 Da
Monoisotopic Mass: 1.5
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]+	249.95096	144.4
[M+Na]+	271.93290	147.0
[M+NH4]+	266.97750	147.2
[M+K]+	287.90684	148.4
[M-H]-	247.93640	141.9
[M+Na-2H]-	269.91835	146.0
[M]+	248.94313	142.7
[M]-	248.94423	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe