CID 13820645

1-chloro-8-methoxyisoquinoline

Structural Information

Molecular Formula
C10H8ClNO
SMILES
COC1=CC=CC2=C1C(=NC=C2)Cl
InChI
InChI=1S/C10H8ClNO/c1-13-8-4-2-3-7-5-6-12-10(11)9(7)8/h2-6H,1H3
InChIKey
VWDQQTNERKDLQH-UHFFFAOYSA-N
Compound name
1-chloro-8-methoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

193.02943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.036706 135.7
[M+Na]+ 216.018648 146.9
[M-H]- 192.022154 139.3
[M+NH4]+ 211.063253 156.3
[M+K]+ 231.992588 142.5
[M+H-H2O]+ 176.026690 129.9
[M+HCOO]- 238.027631 154.2
[M+CH3COO]- 252.043281 150.0
[M+Na-2H]- 214.004096 144.9
[M]+ 193.02888142 139.5
[M]- 193.02997858 139.5
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

patents stripe