CID 71306513

2096339-03-4

Structural Information

Molecular Formula
C20H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C=O
InChI
InChI=1S/C20H23BO4/c1-19(2)20(3,4)25-21(24-19)17-10-11-18(16(12-17)13-22)23-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKey
WCYUTUPOLUMDFG-UHFFFAOYSA-N
Compound name
2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
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 176.2
[M+Na]+ 361.15817 190.4
[M+NH4]+ 356.20277 186.6
[M+K]+ 377.13211 181.7
[M-H]- 337.16167 184.2
[M+Na-2H]- 359.14362 186.1
[M]+ 338.16840 181.0
[M]- 338.16950 181.0
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.