CID 70254

1,3-dithiole-2-thione

Structural Information

Molecular Formula

C₃H₂S₃

SMILES

C1=CSC(=S)S1

InChI

InChI=1S/C3H2S3/c4-3-5-1-2-6-3/h1-2H

InChIKey

WYKJWNVWJOKVQP-UHFFFAOYSA-N

Compound name

1,3-dithiole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 46
References: 773
Patents: 133.93187 Da
Monoisotopic Mass: 2.0
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]+	134.93915	120.3
[M+Na]+	156.92109	131.6
[M-H]-	132.92459	124.3
[M+NH4]+	151.96569	144.4
[M+K]+	172.89503	126.9
[M+H-H2O]+	116.92913	116.1
[M+HCOO]-	178.93007	130.4
[M+CH3COO]-	192.94572	134.6
[M+Na-2H]-	154.90654	121.0
[M]+	133.93132	120.8
[M]-	133.93242	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe