CID 23347

2-thienyl disulfide

Structural Information

Molecular Formula

C₈H₆S₄

SMILES

C1=CSC(=C1)SSC2=CC=CS2

InChI

InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H

InChIKey

YOLFWWMPGNMXFI-UHFFFAOYSA-N

Compound name

2-(thiophen-2-yldisulfanyl)thiophene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 639
Patents: 229.93524 Da
Monoisotopic Mass: 4.1
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]+	230.94252	148.2
[M+Na]+	252.92446	161.3
[M-H]-	228.92796	154.8
[M+NH4]+	247.96906	170.2
[M+K]+	268.89840	154.0
[M+H-H2O]+	212.93250	144.4
[M+HCOO]-	274.93344	155.2
[M+CH3COO]-	288.94909	161.1
[M+Na-2H]-	250.90991	147.3
[M]+	229.93469	150.0
[M]-	229.93579	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe