CID 62682

Disulfuric acid

Structural Information

Molecular Formula

H₂O₇S₂

SMILES

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

InChI

InChI=1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)

InChIKey

VFNGKCDDZUSWLR-UHFFFAOYSA-N

Compound name

sulfo hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6562
Patents: 177.9242 Da
Monoisotopic Mass: -1.8
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]+	178.93148	134.7
[M+Na]+	200.91342	140.7
[M+NH4]+	195.95802	139.0
[M+K]+	216.88736	137.4
[M-H]-	176.91692	128.8
[M+Na-2H]-	198.89887	133.8
[M]+	177.92365	134.3
[M]-	177.92475	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe