CID 71743380

4-bromo-6,7-dihydroisoquinolin-8(5h)-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1CC2=C(C=NC=C2C(=O)C1)Br
InChI
InChI=1S/C9H8BrNO/c10-8-5-11-4-7-6(8)2-1-3-9(7)12/h4-5H,1-3H2
InChIKey
FACZUAXPWHUPAL-UHFFFAOYSA-N
Compound name
4-bromo-6,7-dihydro-5H-isoquinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

224.97893 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 137.9
[M+Na]+ 247.96815 142.3
[M+NH4]+ 243.01275 143.7
[M+K]+ 263.94209 141.4
[M-H]- 223.97165 138.9
[M+Na-2H]- 245.95360 141.6
[M]+ 224.97838 137.6
[M]- 224.97948 137.6
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