CID 53216766

1256358-85-6

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 175.9
[M+Na]+ 361.15817 189.9
[M+NH4]+ 356.20277 186.3
[M+K]+ 377.13211 182.0
[M-H]- 337.16167 183.7
[M+Na-2H]- 359.14362 185.6
[M]+ 338.16840 180.7
[M]- 338.16950 180.7
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.