CID 59165936

862081-38-7

Structural Information

Molecular Formula
C14H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COC3=O)C=C2
InChI
InChI=1S/C14H17BO4/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-17-12(16)11(9)7-10/h5-7H,8H2,1-4H3
InChIKey
WYVNPLWFLYLLAQ-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

260.12198 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12926 152.5
[M+Na]+ 283.11120 164.4
[M+NH4]+ 278.15580 163.5
[M+K]+ 299.08514 160.0
[M-H]- 259.11470 159.1
[M+Na-2H]- 281.09665 158.1
[M]+ 260.12143 156.4
[M]- 260.12253 156.4
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

patents stripe