CID 81158568

3,5-dimethylthiophene-2-sulfonamide

Structural Information

Molecular Formula
C6H9NO2S2
SMILES
CC1=CC(=C(S1)S(=O)(=O)N)C
InChI
InChI=1S/C6H9NO2S2/c1-4-3-5(2)10-6(4)11(7,8)9/h3H,1-2H3,(H2,7,8,9)
InChIKey
XOOGWVIHYBWIBU-UHFFFAOYSA-N
Compound name
3,5-dimethylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.00748 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.014756 137.9
[M+Na]+ 213.996698 148.3
[M-H]- 190.000204 141.8
[M+NH4]+ 209.041303 159.7
[M+K]+ 229.970638 144.4
[M+H-H2O]+ 174.004740 133.2
[M+HCOO]- 236.005681 152.3
[M+CH3COO]- 250.021331 180.3
[M+Na-2H]- 211.982146 138.4
[M]+ 191.00693142 140.3
[M]- 191.00802858 140.3
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