CID 129319349

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran-3(2h)-one

Structural Information

Molecular Formula
C14H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCC3=O
InChI
InChI=1S/C14H17BO4/c1-13(2)14(3,4)19-15(18-13)9-5-6-12-10(7-9)11(16)8-17-12/h5-7H,8H2,1-4H3
InChIKey
YFNTXBTWPSCZHK-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12198 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12926 151.9
[M+Na]+ 283.11120 162.5
[M-H]- 259.11470 162.4
[M+NH4]+ 278.15580 173.9
[M+K]+ 299.08514 163.3
[M+H-H2O]+ 243.11924 149.3
[M+HCOO]- 305.12018 171.3
[M+CH3COO]- 319.13583 195.2
[M+Na-2H]- 281.09665 157.3
[M]+ 260.12143 156.8
[M]- 260.12253 156.8
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.