CID 45080588

4-aminothiophene-2-sulfonamide

Structural Information

Molecular Formula
C4H6N2O2S2
SMILES
C1=C(SC=C1N)S(=O)(=O)N
InChI
InChI=1S/C4H6N2O2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H,5H2,(H2,6,7,8)
InChIKey
JDYQZLNQRKFDKE-UHFFFAOYSA-N
Compound name
4-aminothiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.98708 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.994356 133.2
[M+Na]+ 200.976298 142.7
[M-H]- 176.979804 136.3
[M+NH4]+ 196.020903 154.5
[M+K]+ 216.950238 138.5
[M+H-H2O]+ 160.984340 127.9
[M+HCOO]- 222.985281 148.5
[M+CH3COO]- 237.000931 177.5
[M+Na-2H]- 198.961746 135.0
[M]+ 177.98653142 132.7
[M]- 177.98762858 132.7
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