CID 10443592

4-methylthiophene-2-boronic acid pinacol ester

Structural Information

Molecular Formula

C₁₁H₁₇BO₂S

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C

InChI

InChI=1S/C11H17BO2S/c1-8-6-9(15-7-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3

InChIKey

FNRMPXJVCSMVMA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 224.10423 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]+	225.11151	142.4
[M+Na]+	247.09345	153.1
[M-H]-	223.09695	151.8
[M+NH4]+	242.13805	167.1
[M+K]+	263.06739	153.5
[M+H-H2O]+	207.10149	140.5
[M+HCOO]-	269.10243	160.2
[M+CH3COO]-	283.11808	187.0
[M+Na-2H]-	245.07890	145.2
[M]+	224.10368	148.2
[M]-	224.10478	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe