CID 137963797

4-formyl-2,5-dimethylthiophene-3-sulfonamide

Structural Information

Molecular Formula
C7H9NO3S2
SMILES
CC1=C(C(=C(S1)C)S(=O)(=O)N)C=O
InChI
InChI=1S/C7H9NO3S2/c1-4-6(3-9)7(5(2)12-4)13(8,10)11/h3H,1-2H3,(H2,8,10,11)
InChIKey
AYJHCVGWRFKPFI-UHFFFAOYSA-N
Compound name
4-formyl-2,5-dimethylthiophene-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.00238 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00966 144.4
[M+Na]+ 241.99160 155.1
[M-H]- 217.99510 148.4
[M+NH4]+ 237.03620 165.1
[M+K]+ 257.96554 150.7
[M+H-H2O]+ 201.99964 139.7
[M+HCOO]- 264.00058 158.8
[M+CH3COO]- 278.01623 185.6
[M+Na-2H]- 239.97705 144.2
[M]+ 219.00183 148.2
[M]- 219.00293 148.2
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.