CID 11970450

Disodium (sulphonatothio)acetate

Structural Information

Molecular Formula

C₂H₄O₅S₂

SMILES

C(C(=O)O)SS(=O)(=O)O

InChI

InChI=1S/C2H4O5S2/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H,5,6,7)

InChIKey

JAOONEFWEHUZAH-UHFFFAOYSA-N

Compound name

2-sulfosulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.95001 Da
Monoisotopic Mass: -0.9
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]+	172.95729	129.9
[M+Na]+	194.93923	137.4
[M-H]-	170.94273	127.4
[M+NH4]+	189.98383	148.6
[M+K]+	210.91317	134.4
[M+H-H2O]+	154.94727	125.4
[M+HCOO]-	216.94821	139.5
[M+CH3COO]-	230.96386	167.6
[M+Na-2H]-	192.92468	132.0
[M]+	171.94946	132.2
[M]-	171.95056	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe