CID 165997421

En300-37359375

Structural Information

Molecular Formula
C16H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(=C3)C(=O)C
InChI
InChI=1S/C16H19BO4/c1-10(18)14-9-11-8-12(6-7-13(11)19-14)17-20-15(2,3)16(4,5)21-17/h6-9H,1-5H3
InChIKey
STKMRABFAQLRMU-UHFFFAOYSA-N
Compound name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14491 159.5
[M+Na]+ 309.12685 171.0
[M-H]- 285.13035 170.6
[M+NH4]+ 304.17145 180.6
[M+K]+ 325.10079 171.6
[M+H-H2O]+ 269.13489 156.7
[M+HCOO]- 331.13583 180.1
[M+CH3COO]- 345.15148 201.4
[M+Na-2H]- 307.11230 164.4
[M]+ 286.13708 167.4
[M]- 286.13818 167.4
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.