CID 3098783

Thiophene-3-ol, 2,3-dihydro-, sulfate, 1,1-dioxide

Structural Information

Molecular Formula
C4H6O6S2
SMILES
C1C(C=CS1(=O)=O)OS(=O)(=O)O
InChI
InChI=1S/C4H6O6S2/c5-11(6)2-1-4(3-11)10-12(7,8)9/h1-2,4H,3H2,(H,7,8,9)
InChIKey
OAALYYGBRQNLKA-UHFFFAOYSA-N
Compound name
(1,1-dioxo-2,3-dihydrothiophen-3-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.96059 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96787 139.4
[M+Na]+ 236.94981 149.3
[M-H]- 212.95331 141.9
[M+NH4]+ 231.99441 161.1
[M+K]+ 252.92375 146.8
[M+H-H2O]+ 196.95785 136.4
[M+HCOO]- 258.95879 152.5
[M+CH3COO]- 272.97444 173.3
[M+Na-2H]- 234.93526 143.7
[M]+ 213.96004 144.1
[M]- 213.96114 144.1
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.