CID 46736825

2,5-dibromo-3-methoxypyridine

Structural Information

Molecular Formula

C₆H₅Br₂NO

SMILES

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

InChI

InChI=1S/C6H5Br2NO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3

InChIKey

BUTXHBVASSLBPO-UHFFFAOYSA-N

Compound name

2,5-dibromo-3-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 264.87378 Da
Monoisotopic Mass: 2.5
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]+	265.88106	141.1
[M+Na]+	287.86300	137.1
[M+NH4]+	282.90760	143.4
[M+K]+	303.83694	143.4
[M-H]-	263.86650	141.8
[M+Na-2H]-	285.84845	143.4
[M]+	264.87323	139.7
[M]-	264.87433	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe