CID 10012505

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

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC(=CC2=C1C=CNC2=O)Cl
InChI
InChI=1S/C9H6ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)
InChIKey
YWUCOQGBXQHOJM-UHFFFAOYSA-N
Compound name
7-chloro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

179.0138 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 130.7
[M+Na]+ 202.00302 142.2
[M-H]- 178.00652 133.2
[M+NH4]+ 197.04762 151.2
[M+K]+ 217.97696 136.6
[M+H-H2O]+ 162.01106 125.6
[M+HCOO]- 224.01200 148.3
[M+CH3COO]- 238.02765 144.8
[M+Na-2H]- 199.98847 140.0
[M]+ 179.01325 131.7
[M]- 179.01435 131.7
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