CID 2754594

Peroxymonosulfuric acid

Structural Information

Molecular Formula
H2O5S
SMILES
OOS(=O)(=O)O
InChI
InChI=1S/H2O5S/c1-5-6(2,3)4/h1H,(H,2,3,4)
InChIKey
FHHJDRFHHWUPDG-UHFFFAOYSA-N
Compound name
hydroxy hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34203
Patents

113.962296 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.96957 113.9
[M+Na]+ 136.95151 123.1
[M-H]- 112.95502 112.4
[M+NH4]+ 131.99612 135.4
[M+K]+ 152.92545 122.6
[M+H-H2O]+ 96.959556 110.4
[M+HCOO]- 158.96050 131.0
[M+CH3COO]- 172.97615 156.4
[M+Na-2H]- 134.93696 120.3
[M]+ 113.96175 116.4
[M]- 113.96284 116.4
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