CID 165633

Peroxomonosulfuric acid

Structural Information

Molecular Formula
O6S
SMILES
O=S1(=O)OOOO1
InChI
InChI=1S/O6S/c1-7(2)5-3-4-6-7
InChIKey
DAFQZPUISLXFBF-UHFFFAOYSA-N
Compound name
tetraoxathiolane 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11571
Patents

127.94156 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.94884 111.1
[M+Na]+ 150.93078 121.5
[M-H]- 126.93428 118.3
[M+NH4]+ 145.97538 131.8
[M+K]+ 166.90472 127.0
[M+H-H2O]+ 110.93882 109.0
[M+HCOO]- 172.93976 129.5
[M+CH3COO]- 186.95541 160.8
[M+Na-2H]- 148.91623 121.9
[M]+ 127.94101 117.6
[M]- 127.94211 117.6
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