CID 84708014

1207448-48-3

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

COC1=CC2=C(C=C1)C(=CNC2=O)Br

InChI

InChI=1S/C10H8BrNO2/c1-14-6-2-3-7-8(4-6)10(13)12-5-9(7)11/h2-5H,1H3,(H,12,13)

InChIKey

IUIGIHBFESJYRB-UHFFFAOYSA-N

Compound name

4-bromo-7-methoxy-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 252.97385 Da
Monoisotopic Mass: 1.7
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]+	253.98113	143.4
[M+Na]+	275.96307	148.7
[M+NH4]+	271.00767	148.3
[M+K]+	291.93701	148.1
[M-H]-	251.96657	143.9
[M+Na-2H]-	273.94852	147.3
[M]+	252.97330	143.2
[M]-	252.97440	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe