CID 67505649

(6-fluoroquinolin-3-yl)boronic acid

Structural Information

Molecular Formula
C9H7BFNO2
SMILES
B(C1=CC2=C(C=CC(=C2)F)N=C1)(O)O
InChI
InChI=1S/C9H7BFNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5,13-14H
InChIKey
CIBAALVGNOQWCI-UHFFFAOYSA-N
Compound name
(6-fluoroquinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.05539 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06267 136.9
[M+Na]+ 214.04461 149.8
[M+NH4]+ 209.08921 144.7
[M+K]+ 230.01855 144.1
[M-H]- 190.04811 136.9
[M+Na-2H]- 212.03006 142.8
[M]+ 191.05484 138.5
[M]- 191.05594 138.5
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