CID 2783396

2-fluoropyridine-4-boronic acid

Structural Information

Molecular Formula
C5H5BFNO2
SMILES
B(C1=CC(=NC=C1)F)(O)O
InChI
InChI=1S/C5H5BFNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
InChIKey
WXGBZJJAGLSBPR-UHFFFAOYSA-N
Compound name
(2-fluoropyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2196
Patents

141.03973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04701 122.7
[M+Na]+ 164.02895 131.3
[M-H]- 140.03245 121.4
[M+NH4]+ 159.07355 141.7
[M+K]+ 180.00289 129.3
[M+H-H2O]+ 124.03699 116.3
[M+HCOO]- 186.03793 142.4
[M+CH3COO]- 200.05358 167.7
[M+Na-2H]- 162.01440 129.2
[M]+ 141.03918 119.7
[M]- 141.04028 119.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe