CID 22250138

630423-26-6

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

COC1=C(C2=C(C=C1)C(=NC=C2)Cl)OC

InChI

InChI=1S/C11H10ClNO2/c1-14-9-4-3-8-7(10(9)15-2)5-6-13-11(8)12/h3-6H,1-2H3

InChIKey

GMXSLRSMLUSLTI-UHFFFAOYSA-N

Compound name

1-chloro-5,6-dimethoxyisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 223.04001 Da
Monoisotopic Mass: 3.0
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]+	224.04729	143.3
[M+Na]+	246.02923	159.8
[M+NH4]+	241.07383	152.9
[M+K]+	262.00317	151.6
[M-H]-	222.03273	146.3
[M+Na-2H]-	244.01468	151.3
[M]+	223.03946	147.0
[M]-	223.04056	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe