CID 12403682

8-bromo-4-hydroxyquinoline

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C(=C1)Br)NC=CC2=O
InChI
InChI=1S/C9H6BrNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChIKey
HLALMUWUZUGIGR-UHFFFAOYSA-N
Compound name
8-bromo-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

222.96329 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 135.6
[M+Na]+ 245.95251 148.9
[M-H]- 221.95601 140.8
[M+NH4]+ 240.99711 157.0
[M+K]+ 261.92645 136.8
[M+H-H2O]+ 205.96055 136.0
[M+HCOO]- 267.96149 155.3
[M+CH3COO]- 281.97714 151.1
[M+Na-2H]- 243.93796 146.1
[M]+ 222.96274 153.3
[M]- 222.96384 153.3
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