CID 71014093

(2-fluoro-4-phenoxyphenyl)boronic acid

Structural Information

Molecular Formula
C12H10BFO3
SMILES
B(C1=C(C=C(C=C1)OC2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C12H10BFO3/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,15-16H
InChIKey
PSLVPUAZLINPDI-UHFFFAOYSA-N
Compound name
(2-fluoro-4-phenoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

232.07071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07799 146.5
[M+Na]+ 255.05993 154.2
[M-H]- 231.06343 149.7
[M+NH4]+ 250.10453 162.9
[M+K]+ 271.03387 150.7
[M+H-H2O]+ 215.06797 138.9
[M+HCOO]- 277.06891 166.9
[M+CH3COO]- 291.08456 185.3
[M+Na-2H]- 253.04538 151.2
[M]+ 232.07016 144.9
[M]- 232.07126 144.9
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