CID 46739037

3-benzylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C19H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-8-11-16(14-17)13-15-9-6-5-7-10-15/h5-12,14H,13H2,1-4H3
InChIKey
VNZSTZMLJUPNQM-UHFFFAOYSA-N
Compound name
2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

294.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18638 167.1
[M+Na]+ 317.16832 175.7
[M-H]- 293.17182 178.7
[M+NH4]+ 312.21292 185.9
[M+K]+ 333.14226 174.1
[M+H-H2O]+ 277.17636 160.5
[M+HCOO]- 339.17730 187.6
[M+CH3COO]- 353.19295 180.2
[M+Na-2H]- 315.15377 171.7
[M]+ 294.17855 169.6
[M]- 294.17965 169.6
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