CID 53216766

3'-(methoxycarbonyl)biphenyl-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C20H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)OC
InChI
InChI=1S/C20H23BO4/c1-19(2)20(3,4)25-21(24-19)17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(22)23-5/h6-13H,1-5H3
InChIKey
WHJJVEIJHJEWDK-UHFFFAOYSA-N
Compound name
methyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17623 176.4
[M+Na]+ 361.15817 185.1
[M-H]- 337.16167 188.3
[M+NH4]+ 356.20277 193.4
[M+K]+ 377.13211 184.7
[M+H-H2O]+ 321.16621 170.0
[M+HCOO]- 383.16715 196.1
[M+CH3COO]- 397.18280 210.6
[M+Na-2H]- 359.14362 179.1
[M]+ 338.16840 181.3
[M]- 338.16950 181.3
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

No patent data available for this compound.