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

35
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 142.6
[M+Na]+ 263.96307 154.2
[M-H]- 239.96657 146.0
[M+NH4]+ 259.00767 162.5
[M+K]+ 279.93701 142.0
[M+H-H2O]+ 223.97111 143.0
[M+HCOO]- 285.97205 158.2
[M+CH3COO]- 299.98770 184.1
[M+Na-2H]- 261.94852 149.8
[M]+ 240.97330 157.4
[M]- 240.97440 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