CID 22250200

7-chloro-4-methoxy-2h-isoquinolin-1-one

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC1=CNC(=O)C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C10H8ClNO2/c1-14-9-5-12-10(13)8-4-6(11)2-3-7(8)9/h2-5H,1H3,(H,12,13)
InChIKey
JLRCBNLADGATRC-UHFFFAOYSA-N
Compound name
7-chloro-4-methoxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

209.02435 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 138.3
[M+Na]+ 232.013568 150.2
[M-H]- 208.017074 141.0
[M+NH4]+ 227.058173 157.8
[M+K]+ 247.987508 144.9
[M+H-H2O]+ 192.021610 133.0
[M+HCOO]- 254.022551 155.7
[M+CH3COO]- 268.038201 182.4
[M+Na-2H]- 229.999016 146.3
[M]+ 209.02380142 141.5
[M]- 209.02489858 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