CID 44755182

1072944-20-7

Structural Information

Molecular Formula
C11H9BFNO2
SMILES
B(C1=CN=C(C=C1)C2=CC=C(C=C2)F)(O)O
InChI
InChI=1S/C11H9BFNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-14-11)12(15)16/h1-7,15-16H
InChIKey
COZZGWRIBKHUFL-UHFFFAOYSA-N
Compound name
[6-(4-fluorophenyl)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

217.07103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07831 145.9
[M+Na]+ 240.06025 159.4
[M+NH4]+ 235.10485 153.3
[M+K]+ 256.03419 153.3
[M-H]- 216.06375 147.5
[M+Na-2H]- 238.04570 154.0
[M]+ 217.07048 148.2
[M]- 217.07158 148.2
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