CID 84711725

3,4-dibromo-5-methoxypyridine

Structural Information

Molecular Formula

C₆H₅Br₂NO

SMILES

COC1=CN=CC(=C1Br)Br

InChI

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

InChIKey

SYKAIWLPBWUPCH-UHFFFAOYSA-N

Compound name

3,4-dibromo-5-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.87378 Da
Monoisotopic Mass: 2.2
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	128.1
[M+Na]+	287.86300	140.3
[M-H]-	263.86650	134.4
[M+NH4]+	282.90760	147.7
[M+K]+	303.83694	125.8
[M+H-H2O]+	247.87104	136.4
[M+HCOO]-	309.87198	144.8
[M+CH3COO]-	323.88763	198.4
[M+Na-2H]-	285.84845	137.3
[M]+	264.87323	163.3
[M]-	264.87433	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.