CID 13196

Ethylene trithiocarbonate

Structural Information

Molecular Formula

C₃H₄S₃

SMILES

C1CSC(=S)S1

InChI

InChI=1S/C3H4S3/c4-3-5-1-2-6-3/h1-2H2

InChIKey

XCWPBWWTGHQKDR-UHFFFAOYSA-N

Compound name

1,3-dithiolane-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1102
Patents: 135.94751 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]+	136.95479	123.2
[M+Na]+	158.93673	132.4
[M-H]-	134.94023	126.4
[M+NH4]+	153.98133	146.9
[M+K]+	174.91067	128.3
[M+H-H2O]+	118.94477	119.1
[M+HCOO]-	180.94571	130.6
[M+CH3COO]-	194.96136	136.4
[M+Na-2H]-	156.92218	122.3
[M]+	135.94696	121.2
[M]-	135.94806	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe