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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 138.3
[M+Na]+ 232.01357 150.2
[M-H]- 208.01707 141.0
[M+NH4]+ 227.05817 157.8
[M+K]+ 247.98751 144.9
[M+H-H2O]+ 192.02161 133.0
[M+HCOO]- 254.02255 155.7
[M+CH3COO]- 268.03820 182.4
[M+Na-2H]- 229.99902 146.3
[M]+ 209.02380 141.5
[M]- 209.02490 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe