CID 46738814

3-bromo-2-chloro-5-methoxypyridine

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H5BrClNO/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3

InChIKey

OHABUHZFENICAZ-UHFFFAOYSA-N

Compound name

3-bromo-2-chloro-5-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 220.9243 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]+	221.93158	134.3
[M+Na]+	243.91352	139.9
[M+NH4]+	238.95812	139.9
[M+K]+	259.88746	139.0
[M-H]-	219.91702	135.0
[M+Na-2H]-	241.89897	139.1
[M]+	220.92375	134.5
[M]-	220.92485	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe