CID 57193946

3-fluorophenylboronic acid pinacol ester

Structural Information

Molecular Formula
C12H16BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)F
InChI
InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
InChIKey
VWBPPYBBVMPZOZ-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

222.12274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13002 142.4
[M+Na]+ 245.11196 152.5
[M-H]- 221.11546 150.1
[M+NH4]+ 240.15656 164.6
[M+K]+ 261.08590 152.6
[M+H-H2O]+ 205.12000 137.5
[M+HCOO]- 267.12094 162.9
[M+CH3COO]- 281.13659 188.6
[M+Na-2H]- 243.09741 148.7
[M]+ 222.12219 144.1
[M]- 222.12329 144.1
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