CID 90202698

2-(1,1-dimethyl-1,3-dihydroisobenzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(OC3)(C)C
InChI
InChI=1S/C16H23BO3/c1-14(2)13-8-7-12(9-11(13)10-18-14)17-19-15(3,4)16(5,6)20-17/h7-9H,10H2,1-6H3
InChIKey
MOHLAQFNYHPKCK-UHFFFAOYSA-N
Compound name
2-(1,1-dimethyl-3H-2-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 155.5
[M+Na]+ 297.16322 166.2
[M-H]- 273.16672 166.0
[M+NH4]+ 292.20782 179.1
[M+K]+ 313.13716 166.6
[M+H-H2O]+ 257.17126 153.1
[M+HCOO]- 319.17220 173.8
[M+CH3COO]- 333.18785 170.1
[M+Na-2H]- 295.14867 161.1
[M]+ 274.17345 160.8
[M]- 274.17455 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.