CID 2733986

3-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

10018
Patents

140.0445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.051776 122.7
[M+Na]+ 163.033718 130.9
[M-H]- 139.037224 122.9
[M+NH4]+ 158.078323 143.1
[M+K]+ 179.007658 128.9
[M+H-H2O]+ 123.041760 117.2
[M+HCOO]- 185.042701 143.5
[M+CH3COO]- 199.058351 168.1
[M+Na-2H]- 161.019166 128.7
[M]+ 140.04395142 119.6
[M]- 140.04504858 119.6
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