CID 16750379

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

Structural Information

Molecular Formula
C14H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCO3)C=C2
InChI
InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11/h5-6,9H,7-8H2,1-4H3
InChIKey
WLLNCSSMFWOCNN-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

246.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15001 151.0
[M+Na]+ 269.13195 160.6
[M-H]- 245.13545 161.2
[M+NH4]+ 264.17655 173.5
[M+K]+ 285.10589 161.4
[M+H-H2O]+ 229.13999 148.0
[M+HCOO]- 291.14093 170.0
[M+CH3COO]- 305.15658 165.5
[M+Na-2H]- 267.11740 156.6
[M]+ 246.14218 154.7
[M]- 246.14328 154.7
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