CID 45790048

2-(1-benzofuran-7-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(=CC=C2)C=CO3
InChI
InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-7-5-6-10-8-9-16-12(10)11/h5-9H,1-4H3
InChIKey
DNZVVIZYTCIYNY-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

244.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13436 148.5
[M+Na]+ 267.11630 160.2
[M-H]- 243.11980 159.5
[M+NH4]+ 262.16090 171.3
[M+K]+ 283.09024 160.7
[M+H-H2O]+ 227.12434 145.3
[M+HCOO]- 289.12528 170.4
[M+CH3COO]- 303.14093 164.1
[M+Na-2H]- 265.10175 155.9
[M]+ 244.12653 155.1
[M]- 244.12763 155.1
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

patents stripe