CID 71742964

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.97893 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 139.2
[M+Na]+ 247.968148 150.6
[M-H]- 223.971654 143.7
[M+NH4]+ 243.012753 160.3
[M+K]+ 263.942088 138.8
[M+H-H2O]+ 207.976190 139.6
[M+HCOO]- 269.977131 156.2
[M+CH3COO]- 283.992781 153.6
[M+Na-2H]- 245.953596 147.7
[M]+ 224.97838142 154.1
[M]- 224.97947858 154.1
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