CID 12201345

4-bromoquinolin-3-ol

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)O)Br
InChI
InChI=1S/C9H6BrNO/c10-9-6-3-1-2-4-7(6)11-5-8(9)12/h1-5,12H
InChIKey
BJEMWAKSVKPWBC-UHFFFAOYSA-N
Compound name
4-bromoquinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.96329 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 136.7
[M+Na]+ 245.95251 149.8
[M-H]- 221.95601 141.9
[M+NH4]+ 240.99711 158.1
[M+K]+ 261.92645 138.2
[M+H-H2O]+ 205.96055 137.1
[M+HCOO]- 267.96149 156.3
[M+CH3COO]- 281.97714 152.1
[M+Na-2H]- 243.93796 147.2
[M]+ 222.96274 155.0
[M]- 222.96384 155.0
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

No patent data available for this compound.