CID 2776423

132898-95-4

Structural Information

Molecular Formula

C₈H₇BO₂S₂

SMILES

B(C1=CC=C(S1)C2=CC=CS2)(O)O

InChI

InChI=1S/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H

InChIKey

PPHSULIZZOEBDD-UHFFFAOYSA-N

Compound name

(5-thiophen-2-ylthiophen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 209.99805 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]+	211.00533	141.0
[M+Na]+	232.98727	151.4
[M+NH4]+	228.03187	150.3
[M+K]+	248.96121	145.9
[M-H]-	208.99077	143.7
[M+Na-2H]-	230.97272	146.3
[M]+	209.99750	144.1
[M]-	209.99860	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe