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

497
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 118.2
[M+Na]+ 146.97225 127.5
[M-H]- 122.97575 118.0
[M+NH4]+ 142.01685 140.1
[M+K]+ 162.94619 126.4
[M+H-H2O]+ 106.98029 114.4
[M+HCOO]- 168.98123 136.2
[M+CH3COO]- 182.99688 161.9
[M+Na-2H]- 144.95770 124.0
[M]+ 123.98248 121.2
[M]- 123.98358 121.2
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.