CID 56923639

1204580-85-7

Structural Information

Molecular Formula
C20H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C)OCC3=CC=CC=C3
InChI
InChI=1S/C20H25BO3/c1-15-11-12-18(22-14-16-9-7-6-8-10-16)17(13-15)21-23-19(2,3)20(4,5)24-21/h6-13H,14H2,1-5H3
InChIKey
VEPULHNEQKEFFW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(5-methyl-2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

324.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19695 174.1
[M+Na]+ 347.17889 183.0
[M-H]- 323.18239 185.9
[M+NH4]+ 342.22349 191.9
[M+K]+ 363.15283 181.9
[M+H-H2O]+ 307.18693 167.5
[M+HCOO]- 369.18787 194.5
[M+CH3COO]- 383.20352 208.9
[M+Na-2H]- 345.16434 177.8
[M]+ 324.18912 178.9
[M]- 324.19022 178.9
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