CID 160226

Sulfoacetaldehyde

Structural Information

Molecular Formula
C2H4O4S
SMILES
C(C=O)S(=O)(=O)O
InChI
InChI=1S/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)
InChIKey
JTJIXCMSHWPJJE-UHFFFAOYSA-N
Compound name
2-oxoethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

226
Patents

123.98303 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99031 122.2
[M+Na]+ 146.97225 131.1
[M+NH4]+ 142.01685 128.7
[M+K]+ 162.94619 126.3
[M-H]- 122.97575 119.1
[M+Na-2H]- 144.95770 124.1
[M]+ 123.98248 122.7
[M]- 123.98358 122.7
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