CID 57470991

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

Structural Information

Molecular Formula
C14H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=COC3=CC=C2
InChI
InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9H,1-4H3
InChIKey
QHBWRIRRPKKWSW-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

244.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13436 147.5
[M+Na]+ 267.11630 161.4
[M+NH4]+ 262.16090 159.6
[M+K]+ 283.09024 155.9
[M-H]- 243.11980 155.3
[M+Na-2H]- 265.10175 155.6
[M]+ 244.12653 152.3
[M]- 244.12763 152.3
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