CID 67510937

2137987-02-9

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1CC2=C(C=C(C=N2)Br)C(=O)C1
InChI
InChI=1S/C9H8BrNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2
InChIKey
UQWUIRUUIMHHEM-UHFFFAOYSA-N
Compound name
3-bromo-7,8-dihydro-6H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.97893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 138.3
[M+Na]+ 247.96815 150.1
[M-H]- 223.97165 144.1
[M+NH4]+ 243.01275 160.0
[M+K]+ 263.94209 139.2
[M+H-H2O]+ 207.97619 138.4
[M+HCOO]- 269.97713 156.7
[M+CH3COO]- 283.99278 185.8
[M+Na-2H]- 245.95360 147.2
[M]+ 224.97838 154.9
[M]- 224.97948 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