CID 11243929

853998-14-8

Structural Information

Molecular Formula
C20H31BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C20H31BO2/c1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21/h9-10,13H,11-12H2,1-8H3
InChIKey
FUSVGFZGSVYZAI-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

314.2417 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24898 165.6
[M+Na]+ 337.23092 175.7
[M-H]- 313.23442 175.1
[M+NH4]+ 332.27552 189.4
[M+K]+ 353.20486 174.6
[M+H-H2O]+ 297.23896 161.3
[M+HCOO]- 359.23990 181.2
[M+CH3COO]- 373.25555 210.3
[M+Na-2H]- 335.21637 170.5
[M]+ 314.24115 168.9
[M]- 314.24225 168.9
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

No patent data available for this compound.