CID 46739038

4-benzylphenylboronic acid pinacol ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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

literature stripe

Patent stripe

patents stripe