CID 2764313

Methyl 5-bromo-6-chloronicotinate

Structural Information

Molecular Formula

C₇H₅BrClNO₂

SMILES

COC(=O)C1=CC(=C(N=C1)Cl)Br

InChI

InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3

InChIKey

WINGWVOUOFMOJQ-UHFFFAOYSA-N

Compound name

methyl 5-bromo-6-chloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 564
Patents: 248.91922 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]+	249.92650	139.6
[M+Na]+	271.90844	144.4
[M+NH4]+	266.95304	144.2
[M+K]+	287.88238	144.4
[M-H]-	247.91194	139.4
[M+Na-2H]-	269.89389	143.4
[M]+	248.91867	139.3
[M]-	248.91977	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe