CID 172915782

2246853-17-6

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(CO3)(C)C
InChI
InChI=1S/C16H23BO3/c1-14(2)10-18-13-9-11(7-8-12(13)14)17-19-15(3,4)16(5,6)20-17/h7-9H,10H2,1-6H3
InChIKey
CRYWECBDXUFWKM-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-2H-1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.181276 155.5
[M+Na]+ 297.163218 166.2
[M-H]- 273.166724 166.0
[M+NH4]+ 292.207823 179.1
[M+K]+ 313.137158 166.6
[M+H-H2O]+ 257.171260 153.1
[M+HCOO]- 319.172201 173.8
[M+CH3COO]- 333.187851 170.1
[M+Na-2H]- 295.148666 161.1
[M]+ 274.17345142 160.8
[M]- 274.17454858 160.8
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.