CID 21640775

Thieno[3,2-b]thiophene-2-sulfonamide

Structural Information

Molecular Formula
C6H5NO2S3
SMILES
C1=CSC2=C1SC(=C2)S(=O)(=O)N
InChI
InChI=1S/C6H5NO2S3/c7-12(8,9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H2,7,8,9)
InChIKey
JAYUOYVAGUBEKY-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophene-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.94824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95552 146.3
[M+Na]+ 241.93746 159.1
[M-H]- 217.94096 151.0
[M+NH4]+ 236.98206 169.5
[M+K]+ 257.91140 153.7
[M+H-H2O]+ 201.94550 143.1
[M+HCOO]- 263.94644 157.4
[M+CH3COO]- 277.96209 159.8
[M+Na-2H]- 239.92291 148.6
[M]+ 218.94769 150.0
[M]- 218.94879 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe