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

1435
Patents

125.98092 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.98820 120.4
[M+Na]+ 148.97014 129.2
[M-H]- 124.97364 119.8
[M+NH4]+ 144.01474 142.3
[M+K]+ 164.94408 126.2
[M+H-H2O]+ 108.97818 116.4
[M+HCOO]- 170.97912 131.7
[M+CH3COO]- 184.99477 164.1
[M+Na-2H]- 146.95559 123.1
[M]+ 125.98037 121.7
[M]- 125.98147 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe