CID 53249793

5-bromo-3,4-dihydroquinolin-2(1h)-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1CC(=O)NC2=C1C(=CC=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-3H,4-5H2,(H,11,12)
InChIKey
JGPDEKZRPAVYJA-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

224.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 138.8
[M+Na]+ 247.96815 142.8
[M+NH4]+ 243.01275 144.3
[M+K]+ 263.94209 142.1
[M-H]- 223.97165 139.4
[M+Na-2H]- 245.95360 142.0
[M]+ 224.97838 138.3
[M]- 224.97948 138.3
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

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