CID 384161

7-bromo-8-hydroxyquinoline

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C(=C(C=C2)Br)O)N=C1
InChI
InChI=1S/C9H6BrNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
InChIKey
ICKPMTNGWVNOGC-UHFFFAOYSA-N
Compound name
7-bromoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

222
Patents

222.96329 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.970566 136.7
[M+Na]+ 245.952508 149.8
[M-H]- 221.956014 141.9
[M+NH4]+ 240.997113 158.1
[M+K]+ 261.926448 138.2
[M+H-H2O]+ 205.960550 137.1
[M+HCOO]- 267.961491 156.3
[M+CH3COO]- 281.977141 152.1
[M+Na-2H]- 243.937956 147.2
[M]+ 222.96274142 155.0
[M]- 222.96383858 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

patents stripe