CID 285645

4-fluorophenylboronic acid

Structural Information

Molecular Formula
C6H6BFO2
SMILES
B(C1=CC=C(C=C1)F)(O)O
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey
LBUNNMJLXWQQBY-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

18068
Patents

140.0445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05178 125.0
[M+Na]+ 163.03372 136.4
[M+NH4]+ 158.07832 132.7
[M+K]+ 179.00766 131.5
[M-H]- 139.03722 124.6
[M+Na-2H]- 161.01917 130.8
[M]+ 140.04395 126.3
[M]- 140.04505 126.3
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