CID 24413

Peroxydisulfuric acid

Structural Information

Molecular Formula

H₂O₈S₂

SMILES

OS(=O)(=O)OOS(=O)(=O)O

InChI

InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)

InChIKey

JRKICGRDRMAZLK-UHFFFAOYSA-N

Compound name

sulfooxy hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 43161
Patents: 193.91911 Da
Monoisotopic Mass: -1.7
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]+	194.92639	131.3
[M+Na]+	216.90833	139.4
[M-H]-	192.91183	128.9
[M+NH4]+	211.95293	148.6
[M+K]+	232.88227	137.6
[M+H-H2O]+	176.91637	126.9
[M+HCOO]-	238.91731	141.9
[M+CH3COO]-	252.93296	167.2
[M+Na-2H]-	214.89378	137.2
[M]+	193.91856	136.3
[M]-	193.91966	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe