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: 92
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	142.0
[M+Na]+	232.98727	152.6
[M-H]-	208.99077	147.7
[M+NH4]+	228.03187	164.2
[M+K]+	248.96121	148.4
[M+H-H2O]+	192.99531	137.9
[M+HCOO]-	254.99625	157.0
[M+CH3COO]-	269.01190	155.8
[M+Na-2H]-	230.97272	141.0
[M]+	209.99750	145.1
[M]-	209.99860	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe