CID 138094

3988-99-6

Structural Information

Molecular Formula

C₈H₆S₃

SMILES

C1=CSC(=C1)SC2=CC=CS2

InChI

InChI=1S/C8H6S3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6H

InChIKey

AKYIWBKPINOXJY-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylsulfanylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 197.96317 Da
Monoisotopic Mass: 4.0
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]+	198.97045	139.1
[M+Na]+	220.95239	151.9
[M-H]-	196.95589	147.0
[M+NH4]+	215.99699	163.1
[M+K]+	236.92633	146.8
[M+H-H2O]+	180.96043	135.1
[M+HCOO]-	242.96137	152.2
[M+CH3COO]-	256.97702	153.7
[M+Na-2H]-	218.93784	138.7
[M]+	197.96262	142.8
[M]-	197.96372	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe