CID 148503951

4,4,5,5-tetramethyl-2-(4-methyl-1-benzofuran-7-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)C)C=CO3
InChI
InChI=1S/C15H19BO3/c1-10-6-7-12(13-11(10)8-9-17-13)16-18-14(2,3)15(4,5)19-16/h6-9H,1-5H3
InChIKey
MLEUWSPIULPEMM-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methyl-1-benzofuran-7-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15001 152.3
[M+Na]+ 281.13195 164.4
[M-H]- 257.13545 163.5
[M+NH4]+ 276.17655 174.8
[M+K]+ 297.10589 164.7
[M+H-H2O]+ 241.13999 149.4
[M+HCOO]- 303.14093 173.9
[M+CH3COO]- 317.15658 167.9
[M+Na-2H]- 279.11740 158.7
[M]+ 258.14218 159.6
[M]- 258.14328 159.6
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.