CID 11368533

2-(1-benzofuran-2-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=CC3=CC=CC=C3O2
InChI
InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)12-9-10-7-5-6-8-11(10)16-12/h5-9H,1-4H3
InChIKey
GVWNFCUCNAWDNO-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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

literature stripe

Patent stripe

patents stripe