CID 46311116

1214378-73-0

Structural Information

Molecular Formula

C₇H₅Br₂NO₂

SMILES

COC(=O)C1=CC(=NC=C1Br)Br

InChI

InChI=1S/C7H5Br2NO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3

InChIKey

DJUYQRYTXYEWHW-UHFFFAOYSA-N

Compound name

methyl 2,5-dibromopyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 292.8687 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]+	293.87598	144.2
[M+Na]+	315.85792	139.6
[M+NH4]+	310.90252	145.8
[M+K]+	331.83186	146.5
[M-H]-	291.86142	144.3
[M+Na-2H]-	313.84337	145.9
[M]+	292.86815	142.4
[M]-	292.86925	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe