CID 2770187

Sulfocarbathione

Structural Information

Molecular Formula

C₅H₉NO₂S₃

SMILES

C1CS(=O)(=O)CC1NC(=S)S

InChI

InChI=1S/C5H9NO2S3/c7-11(8)2-1-4(3-11)6-5(9)10/h4H,1-3H2,(H2,6,9,10)

InChIKey

UEKOYEYXLALUCZ-UHFFFAOYSA-N

Compound name

(1,1-dioxothiolan-3-yl)carbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 17
Patents: 210.97954 Da
Monoisotopic Mass: 0.3
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]+	211.98682	142.6
[M+Na]+	233.96876	148.8
[M+NH4]+	229.01336	151.9
[M+K]+	249.94270	139.6
[M-H]-	209.97226	143.2
[M+Na-2H]-	231.95421	145.1
[M]+	210.97899	144.8
[M]-	210.98009	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe