CID 71721427

3-bromo-5-iodo-2-methoxypyridine

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=N1)I)Br

InChI

InChI=1S/C6H5BrINO/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,1H3

InChIKey

XCADJOUSEZVJKG-UHFFFAOYSA-N

Compound name

3-bromo-5-iodo-2-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 312.85992 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]+	313.86720	138.3
[M+Na]+	335.84914	144.6
[M-H]-	311.85264	137.2
[M+NH4]+	330.89374	155.2
[M+K]+	351.82308	140.4
[M+H-H2O]+	295.85718	134.7
[M+HCOO]-	357.85812	155.2
[M+CH3COO]-	371.87377	190.8
[M+Na-2H]-	333.83459	135.9
[M]+	312.85937	154.9
[M]-	312.86047	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe