CID 109218

68213-74-1

Structural Information

Molecular Formula
C4H4O6S
SMILES
C1C(C(=O)OC1=O)S(=O)(=O)O
InChI
InChI=1S/C4H4O6S/c5-3-1-2(4(6)10-3)11(7,8)9/h2H,1H2,(H,7,8,9)
InChIKey
SVSLTKACVXNABI-UHFFFAOYSA-N
Compound name
2,5-dioxooxolane-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

179.97285 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98013 128.9
[M+Na]+ 202.96207 138.6
[M-H]- 178.96557 132.7
[M+NH4]+ 198.00667 149.2
[M+K]+ 218.93601 138.6
[M+H-H2O]+ 162.97011 125.5
[M+HCOO]- 224.97105 145.8
[M+CH3COO]- 238.98670 170.2
[M+Na-2H]- 200.94752 133.0
[M]+ 179.97230 131.9
[M]- 179.97340 131.9
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

patents stripe