CID 6912593

S-sodium ethanethiosulfonate

Structural Information

Molecular Formula

C₂H₆O₂S₂

SMILES

CCS(=O)(=S)O

InChI

InChI=1S/C2H6O2S2/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)

InChIKey

YLEAHEKEZRNPIM-UHFFFAOYSA-N

Compound name

ethyl-hydroxy-oxo-sulfanylidene-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 522
Patents: 125.98092 Da
Monoisotopic Mass: 1.2
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]+	126.98820	124.9
[M+Na]+	148.97014	133.9
[M+NH4]+	144.01474	133.0
[M+K]+	164.94408	126.3
[M-H]-	124.97364	123.3
[M+Na-2H]-	146.95559	126.5
[M]+	125.98037	126.5
[M]-	125.98147	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe