CID 11368533

402503-13-3

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: 70
Patents: 244.12708 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe