CID 58471046

1071924-13-4

Structural Information

Molecular Formula
C20H33BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C20H33BO2/c1-17(2,3)14-11-15(18(4,5)6)13-16(12-14)21-22-19(7,8)20(9,10)23-21/h11-13H,1-10H3
InChIKey
QJIKOKWYQGKXRJ-UHFFFAOYSA-N
Compound name
2-(3,5-ditert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

316.25735 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26463 170.1
[M+Na]+ 339.24657 178.6
[M-H]- 315.25007 178.9
[M+NH4]+ 334.29117 189.4
[M+K]+ 355.22051 178.7
[M+H-H2O]+ 299.25461 167.1
[M+HCOO]- 361.25555 185.9
[M+CH3COO]- 375.27120 210.8
[M+Na-2H]- 337.23202 175.2
[M]+ 316.25680 175.2
[M]- 316.25790 175.2
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