CID 10035286

160032-40-6

Structural Information

Molecular Formula

C₆H₅BO₂S₂

SMILES

B(C1=CC2=C(S1)C=CS2)(O)O

InChI

InChI=1S/C6H5BO2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,8-9H

InChIKey

PVQAASIVXYZXFF-UHFFFAOYSA-N

Compound name

thieno[3,2-b]thiophen-5-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 183.9824 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]+	184.98968	133.2
[M+Na]+	206.97162	143.1
[M+NH4]+	202.01622	143.0
[M+K]+	222.94556	138.0
[M-H]-	182.97512	134.4
[M+Na-2H]-	204.95707	136.5
[M]+	183.98185	135.8
[M]-	183.98295	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe