CID 59707113

3-bromo-6,7-dihydroquinolin-8(5h)-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1CC2=C(C(=O)C1)N=CC(=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-7-4-6-2-1-3-8(12)9(6)11-5-7/h4-5H,1-3H2
InChIKey
CWFXXVRLJLOYLP-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

224.97893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 138.3
[M+Na]+ 247.968148 150.1
[M-H]- 223.971654 144.1
[M+NH4]+ 243.012753 160.0
[M+K]+ 263.942088 139.2
[M+H-H2O]+ 207.976190 138.4
[M+HCOO]- 269.977131 156.7
[M+CH3COO]- 283.992781 185.8
[M+Na-2H]- 245.953596 147.2
[M]+ 224.97838142 154.9
[M]- 224.97947858 154.9
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