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
1
Annotation Hits

0
References

10948
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

No literature data available for this compound.

Patent stripe

patents stripe