CID 16750469

937591-69-0

Structural Information

Molecular Formula
C14H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCC3
InChI
InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-6,9H,7-8H2,1-4H3
InChIKey
RWJUUXWJBMIGKA-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

246.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15001 150.7
[M+Na]+ 269.13195 162.8
[M+NH4]+ 264.17655 162.6
[M+K]+ 285.10589 157.7
[M-H]- 245.13545 158.1
[M+Na-2H]- 267.11740 157.0
[M]+ 246.14218 155.0
[M]- 246.14328 155.0
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