CID 44717689

8-fluoro-2-methylquinoline-7-boronic acid

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

21
Patents

205.07103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07831 139.9
[M+Na]+ 228.06025 149.6
[M-H]- 204.06375 139.9
[M+NH4]+ 223.10485 157.8
[M+K]+ 244.03419 145.8
[M+H-H2O]+ 188.06829 133.0
[M+HCOO]- 250.06923 157.8
[M+CH3COO]- 264.08488 182.8
[M+Na-2H]- 226.04570 145.7
[M]+ 205.07048 138.4
[M]- 205.07158 138.4
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