CID 13425727

Methyl 5-sulfamoylthiophene-2-carboxylate

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
COC(=O)C1=CC=C(S1)S(=O)(=O)N
InChI
InChI=1S/C6H7NO4S2/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKey
NAMOJFQLKDRNDV-UHFFFAOYSA-N
Compound name
methyl 5-sulfamoylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

220.98164 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.988916 145.3
[M+Na]+ 243.970858 154.3
[M-H]- 219.974364 148.9
[M+NH4]+ 239.015463 165.3
[M+K]+ 259.944798 151.3
[M+H-H2O]+ 203.978900 140.2
[M+HCOO]- 265.979841 159.4
[M+CH3COO]- 279.995491 182.5
[M+Na-2H]- 241.956306 146.1
[M]+ 220.98109142 148.8
[M]- 220.98218858 148.8
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