CID 57415688

3-benzoylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C19H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-11-15(13-16)17(21)14-9-6-5-7-10-14/h5-13H,1-4H3
InChIKey
LAELVQOXYPYWJZ-UHFFFAOYSA-N
Compound name
phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

308.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16568 169.1
[M+Na]+ 331.14762 183.3
[M+NH4]+ 326.19222 180.2
[M+K]+ 347.12156 174.9
[M-H]- 307.15112 177.4
[M+Na-2H]- 329.13307 179.6
[M]+ 308.15785 174.0
[M]- 308.15895 174.0
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