CID 19261659

119308-57-5

Structural Information

Molecular Formula

C₇H₅Br₂NO₂

SMILES

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

InChI

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

InChIKey

XGHFPTMUVIDZNF-UHFFFAOYSA-N

Compound name

methyl 2,6-dibromopyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 292.8687 Da
Monoisotopic Mass: 2.8
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	133.7
[M+Na]+	315.85792	145.5
[M-H]-	291.86142	139.9
[M+NH4]+	310.90252	152.3
[M+K]+	331.83186	131.0
[M+H-H2O]+	275.86596	141.7
[M+HCOO]-	337.86690	149.7
[M+CH3COO]-	351.88255	201.6
[M+Na-2H]-	313.84337	141.5
[M]+	292.86815	169.2
[M]-	292.86925	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe