CID 88444

20267-56-5

Structural Information

Molecular Formula

C₂H₂O₂S₂

SMILES

C(=O)(C(=O)S)S

InChI

InChI=1S/C2H2O2S2/c3-1(5)2(4)6/h(H,3,5)(H,4,6)

InChIKey

FSXWCUSOFGPQKK-UHFFFAOYSA-N

Compound name

ethanebis(thioic S-acid)

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 289
Patents: 121.94962 Da
Monoisotopic Mass: 0.8
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]+	122.95690	117.7
[M+Na]+	144.93884	126.1
[M-H]-	120.94234	118.6
[M+NH4]+	139.98344	140.2
[M+K]+	160.91278	124.7
[M+H-H2O]+	104.94688	113.2
[M+HCOO]-	166.94782	129.8
[M+CH3COO]-	180.96347	168.1
[M+Na-2H]-	142.92429	118.4
[M]+	121.94907	120.3
[M]-	121.95017	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe