CID 759447

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

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1CNC2=C(C1=O)C=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
InChIKey
WAFBCQPOMZIGTJ-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

224.97893 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe