CID 71952987

1194459-28-3

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1CC(=O)NC2=CC(=C(C=C21)Br)O
InChI
InChI=1S/C9H8BrNO2/c10-6-3-5-1-2-9(13)11-7(5)4-8(6)12/h3-4,12H,1-2H2,(H,11,13)
InChIKey
WYOOKLVWUVBNQJ-UHFFFAOYSA-N
Compound name
6-bromo-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 142.6
[M+Na]+ 263.963068 154.2
[M-H]- 239.966574 146.0
[M+NH4]+ 259.007673 162.5
[M+K]+ 279.937008 142.0
[M+H-H2O]+ 223.971110 143.0
[M+HCOO]- 285.972051 158.2
[M+CH3COO]- 299.987701 184.1
[M+Na-2H]- 261.948516 149.8
[M]+ 240.97330142 157.4
[M]- 240.97439858 157.4
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