CID 14907111

Schembl771637

Structural Information

Molecular Formula
C4H4O7S
SMILES
C(=C(/C(=O)O)\S(=O)(=O)O)\C(=O)O
InChI
InChI=1S/C4H4O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h1H,(H,5,6)(H,7,8)(H,9,10,11)/b2-1-
InChIKey
YCELPWGPXSJYMB-UPHRSURJSA-N
Compound name
(Z)-2-sulfobut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

195.96777 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.975046 133.4
[M+Na]+ 218.956988 140.0
[M-H]- 194.960494 129.7
[M+NH4]+ 214.001593 150.1
[M+K]+ 234.930928 138.5
[M+H-H2O]+ 178.965030 129.2
[M+HCOO]- 240.965971 145.7
[M+CH3COO]- 254.981621 170.0
[M+Na-2H]- 216.942436 134.7
[M]+ 195.96722142 134.3
[M]- 195.96831858 134.3
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