CID 138039750

5-formylthiophene-3-sulfonamide

Structural Information

Molecular Formula
C5H5NO3S2
SMILES
C1=C(SC=C1S(=O)(=O)N)C=O
InChI
InChI=1S/C5H5NO3S2/c6-11(8,9)5-1-4(2-7)10-3-5/h1-3H,(H2,6,8,9)
InChIKey
XCSMACUHESNDDY-UHFFFAOYSA-N
Compound name
5-formylthiophene-3-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]+ 191.978356 137.4
[M+Na]+ 213.960298 147.5
[M-H]- 189.963804 141.2
[M+NH4]+ 209.004903 158.8
[M+K]+ 229.934238 143.7
[M+H-H2O]+ 173.968340 132.6
[M+HCOO]- 235.969281 152.7
[M+CH3COO]- 249.984931 177.3
[M+Na-2H]- 211.945746 139.2
[M]+ 190.97053142 139.8
[M]- 190.97162858 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.