CID 12243911

3-chloro-6,7-dimethoxyisoquinoline

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=C(C=C2C=NC(=CC2=C1)Cl)OC
InChI
InChI=1S/C11H10ClNO2/c1-14-9-3-7-5-11(12)13-6-8(7)4-10(9)15-2/h3-6H,1-2H3
InChIKey
UHNYGOXREGUUGH-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 143.4
[M+Na]+ 246.02923 154.9
[M-H]- 222.03273 147.2
[M+NH4]+ 241.07383 163.0
[M+K]+ 262.00317 150.9
[M+H-H2O]+ 206.03727 137.3
[M+HCOO]- 268.03821 161.7
[M+CH3COO]- 282.05386 188.7
[M+Na-2H]- 244.01468 151.3
[M]+ 223.03946 149.4
[M]- 223.04056 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.