CID 3043542

55673-75-1

Structural Information

Molecular Formula
C4H4N2O4S2
SMILES
C1=C(SC=C1S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C4H4N2O4S2/c5-12(9,10)3-1-4(6(7)8)11-2-3/h1-2H,(H2,5,9,10)
InChIKey
IAGFZPWQHMBBJP-UHFFFAOYSA-N
Compound name
5-nitrothiophene-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.96124 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.96852 137.9
[M+Na]+ 230.95046 146.0
[M-H]- 206.95396 141.4
[M+NH4]+ 225.99506 157.2
[M+K]+ 246.92440 138.4
[M+H-H2O]+ 190.95850 136.9
[M+HCOO]- 252.95944 153.9
[M+CH3COO]- 266.97509 173.9
[M+Na-2H]- 228.93591 142.7
[M]+ 207.96069 136.6
[M]- 207.96179 136.6
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.