CID 54689446

6-bromo-4-hydroxyquinolin-2(1h)-one

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC2=C(C=C1Br)C(=CC(=O)N2)O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey
DQFPMEMMMGZBKU-UHFFFAOYSA-N
Compound name
6-bromo-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

238.95819 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.965466 139.1
[M+Na]+ 261.947408 152.6
[M-H]- 237.950914 143.3
[M+NH4]+ 256.992013 159.3
[M+K]+ 277.921348 140.1
[M+H-H2O]+ 221.955450 139.5
[M+HCOO]- 283.956391 157.4
[M+CH3COO]- 297.972041 183.6
[M+Na-2H]- 259.932856 148.3
[M]+ 238.95764142 156.6
[M]- 238.95873858 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe