CID 118131121

3-(benzyloxy)-5-bromo-2-iodopyridine

Structural Information

Molecular Formula

C₁₂H₉BrINO

SMILES

C1=CC=C(C=C1)COC2=C(N=CC(=C2)Br)I

InChI

InChI=1S/C12H9BrINO/c13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2

InChIKey

GARBVRYLQMWMPC-UHFFFAOYSA-N

Compound name

5-bromo-2-iodo-3-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 388.8912 Da
Monoisotopic Mass: 3.7
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]+	389.89848	160.2
[M+Na]+	411.88042	164.9
[M-H]-	387.88392	161.0
[M+NH4]+	406.92502	173.8
[M+K]+	427.85436	159.4
[M+H-H2O]+	371.88846	155.1
[M+HCOO]-	433.88940	176.4
[M+CH3COO]-	447.90505	202.7
[M+Na-2H]-	409.86587	157.0
[M]+	388.89065	176.2
[M]-	388.89175	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe