CID 87527245

2-bromo-1-(6-methoxypyridin-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

COC1=CC=CC(=N1)C(=O)CBr

InChI

InChI=1S/C8H8BrNO2/c1-12-8-4-2-3-6(10-8)7(11)5-9/h2-4H,5H2,1H3

InChIKey

JAXGQRZSXWUJDV-UHFFFAOYSA-N

Compound name

2-bromo-1-(6-methoxy-2-pyridinyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 228.97385 Da
Monoisotopic Mass: 2.0
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]+	229.981126	137.5
[M+Na]+	251.963068	149.3
[M-H]-	227.966574	142.7
[M+NH4]+	247.007673	158.0
[M+K]+	267.937008	139.3
[M+H-H2O]+	211.971110	137.1
[M+HCOO]-	273.972051	158.3
[M+CH3COO]-	287.987701	186.4
[M+Na-2H]-	249.948516	145.5
[M]+	228.97330142	158.0
[M]-	228.97439858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe