CID 6912593

Sodium (ethanesulfonyl)sulfanide

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: 1909
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]+	126.988196	120.4
[M+Na]+	148.970138	129.2
[M-H]-	124.973644	119.8
[M+NH4]+	144.014743	142.3
[M+K]+	164.944078	126.2
[M+H-H2O]+	108.978180	116.4
[M+HCOO]-	170.979121	131.7
[M+CH3COO]-	184.994771	164.1
[M+Na-2H]-	146.955586	123.1
[M]+	125.98037142	121.7
[M]-	125.98146858	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe