CID 22250165

630423-27-7

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

COC1=C(C=C2C(=C1)C=CNC2=O)Cl

InChI

InChI=1S/C10H8ClNO2/c1-14-9-4-6-2-3-12-10(13)7(6)5-8(9)11/h2-5H,1H3,(H,12,13)

InChIKey

SNCIBVDVRDWLLL-UHFFFAOYSA-N

Compound name

7-chloro-6-methoxy-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 209.02435 Da
Monoisotopic Mass: 1.9
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]+	210.03163	138.7
[M+Na]+	232.01357	154.9
[M+NH4]+	227.05817	147.9
[M+K]+	247.98751	147.2
[M-H]-	208.01707	141.0
[M+Na-2H]-	229.99902	146.3
[M]+	209.02380	142.1
[M]-	209.02490	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe