CID 70974

5-bromoquinolin-8-ol

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)Br
InChI
InChI=1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKey
WIIUANWSGSTCLG-UHFFFAOYSA-N
Compound name
5-bromoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

291
Patents

222.96329 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 136.5
[M+Na]+ 245.95251 142.1
[M+NH4]+ 240.99711 142.4
[M+K]+ 261.92645 141.2
[M-H]- 221.95601 137.7
[M+Na-2H]- 243.93796 141.4
[M]+ 222.96274 136.6
[M]- 222.96384 136.6
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