CID 172856167

4,4,5,5-tetramethyl-2-(6-methyl-1-benzofuran-7-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2OC=C3)C
InChI
InChI=1S/C15H19BO3/c1-10-6-7-11-8-9-17-13(11)12(10)16-18-14(2,3)15(4,5)19-16/h6-9H,1-5H3
InChIKey
YSUNEIBXAKQXKC-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(6-methyl-1-benzofuran-7-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.150006 152.3
[M+Na]+ 281.131948 164.4
[M-H]- 257.135454 163.5
[M+NH4]+ 276.176553 174.8
[M+K]+ 297.105888 164.7
[M+H-H2O]+ 241.139990 149.4
[M+HCOO]- 303.140931 173.9
[M+CH3COO]- 317.156581 167.9
[M+Na-2H]- 279.117396 158.7
[M]+ 258.14218142 159.6
[M]- 258.14327858 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.