CID 11095132

3,4-ethylenedithiothiophene

Structural Information

Molecular Formula

C₆H₆S₃

SMILES

C1CSC2=CSC=C2S1

InChI

InChI=1S/C6H6S3/c1-2-9-6-4-7-3-5(6)8-1/h3-4H,1-2H2

InChIKey

HPGNGICCHXRMIP-UHFFFAOYSA-N

Compound name

2,3-dihydrothieno[3,4-b][1,4]dithiine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 173.96317 Da
Monoisotopic Mass: 2.4
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]+	174.970446	129.4
[M+Na]+	196.952388	139.0
[M-H]-	172.955894	133.3
[M+NH4]+	191.996993	153.1
[M+K]+	212.926328	134.5
[M+H-H2O]+	156.960430	125.8
[M+HCOO]-	218.961371	136.4
[M+CH3COO]-	232.977021	142.4
[M+Na-2H]-	194.937836	131.3
[M]+	173.96262142	128.7
[M]-	173.96371858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe