CID 130511422

3-formylthiophene-2-sulfonamide

Structural Information

Molecular Formula
C5H5NO3S2
SMILES
C1=CSC(=C1C=O)S(=O)(=O)N
InChI
InChI=1S/C5H5NO3S2/c6-11(8,9)5-4(3-7)1-2-10-5/h1-3H,(H2,6,8,9)
InChIKey
WZZUOOZTMDXOOS-UHFFFAOYSA-N
Compound name
3-formylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.97108 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97836 137.4
[M+Na]+ 213.96030 147.5
[M-H]- 189.96380 141.2
[M+NH4]+ 209.00490 158.8
[M+K]+ 229.93424 143.7
[M+H-H2O]+ 173.96834 132.6
[M+HCOO]- 235.96928 152.7
[M+CH3COO]- 249.98493 177.3
[M+Na-2H]- 211.94575 139.2
[M]+ 190.97053 139.8
[M]- 190.97163 139.8
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.