CID 44717689

957035-06-2

Structural Information

Molecular Formula

C₁₀H₉BFNO₂

SMILES

B(C1=C(C2=C(C=C1)C=CC(=N2)C)F)(O)O

InChI

InChI=1S/C10H9BFNO2/c1-6-2-3-7-4-5-8(11(14)15)9(12)10(7)13-6/h2-5,14-15H,1H3

InChIKey

BVJIKMGAYNZCCJ-UHFFFAOYSA-N

Compound name

(8-fluoro-2-methylquinolin-7-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 205.07103 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.07831	141.6
[M+Na]+	228.06025	154.6
[M+NH4]+	223.10485	149.2
[M+K]+	244.03419	149.0
[M-H]-	204.06375	141.6
[M+Na-2H]-	226.04570	147.0
[M]+	205.07048	143.3
[M]-	205.07158	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe