CID 53407899

4-bromo-5-methoxyquinoline

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

COC1=CC=CC2=NC=CC(=C21)Br

InChI

InChI=1S/C10H8BrNO/c1-13-9-4-2-3-8-10(9)7(11)5-6-12-8/h2-6H,1H3

InChIKey

YVSWTMODPAGYGD-UHFFFAOYSA-N

Compound name

4-bromo-5-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 236.97893 Da
Monoisotopic Mass: 2.9
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]+	237.98621	140.1
[M+Na]+	259.96815	146.0
[M+NH4]+	255.01275	146.1
[M+K]+	275.94209	144.6
[M-H]-	235.97165	141.7
[M+Na-2H]-	257.95360	145.3
[M]+	236.97838	140.4
[M]-	236.97948	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe