CID 17750871

2-bromoquinoline-3-boronic acid

Structural Information

Molecular Formula
C9H7BBrNO2
SMILES
B(C1=CC2=CC=CC=C2N=C1Br)(O)O
InChI
InChI=1S/C9H7BBrNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKey
RUDILYIFXMOEIO-UHFFFAOYSA-N
Compound name
(2-bromoquinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.97533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98261 143.0
[M+Na]+ 273.96455 147.1
[M+NH4]+ 269.00915 147.7
[M+K]+ 289.93849 147.5
[M-H]- 249.96805 143.0
[M+Na-2H]- 271.95000 146.3
[M]+ 250.97478 142.3
[M]- 250.97588 142.3
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

No patent data available for this compound.