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

30
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

literature stripe

Patent stripe

patents stripe