CID 165646491

En300-34761361

Structural Information

Molecular Formula
C16H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2OCC3)C(=O)OC
InChI
InChI=1S/C16H21BO5/c1-15(2)16(3,4)22-17(21-15)12-9-11(14(18)19-5)8-10-6-7-20-13(10)12/h8-9H,6-7H2,1-5H3
InChIKey
GSPFNKKIQWOGTR-UHFFFAOYSA-N
Compound name
methyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15548 164.7
[M+Na]+ 327.13742 174.0
[M-H]- 303.14092 175.0
[M+NH4]+ 322.18202 184.8
[M+K]+ 343.11136 175.5
[M+H-H2O]+ 287.14546 162.1
[M+HCOO]- 349.14640 182.5
[M+CH3COO]- 363.16205 203.6
[M+Na-2H]- 325.12287 168.2
[M]+ 304.14765 171.1
[M]- 304.14875 171.1
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.