CID 138395778

67874-55-9

Structural Information

Molecular Formula
CH5NO7S2
SMILES
CON=S(=O)(O)OS(=O)(=O)O
InChI
InChI=1S/CH5NO7S2/c1-8-2-10(3,4)9-11(5,6)7/h1H3,(H,2,3,4)(H,5,6,7)
InChIKey
LNIIXGRIQUFTRY-UHFFFAOYSA-N
Compound name
[(hydroxy-oxo-sulfooxy-lambda6-sulfanylidene)amino]oxymethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.95074 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.95802 136.1
[M+Na]+ 229.93996 143.6
[M-H]- 205.94346 134.8
[M+NH4]+ 224.98456 153.4
[M+K]+ 245.91390 141.8
[M+H-H2O]+ 189.94800 130.9
[M+HCOO]- 251.94894 148.5
[M+CH3COO]- 265.96459 174.6
[M+Na-2H]- 227.92541 142.2
[M]+ 206.95019 140.9
[M]- 206.95129 140.9
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

No patent data available for this compound.