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

47
Patents

217.07103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07831 143.3
[M+Na]+ 240.06025 151.6
[M-H]- 216.06375 145.2
[M+NH4]+ 235.10485 159.1
[M+K]+ 256.03419 147.4
[M+H-H2O]+ 200.06829 135.2
[M+HCOO]- 262.06923 162.5
[M+CH3COO]- 276.08488 182.8
[M+Na-2H]- 238.04570 148.6
[M]+ 217.07048 140.4
[M]- 217.07158 140.4
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