CID 3042284

59337-78-9

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
COC(=O)C1=CSC=C1S(=O)(=O)N
InChI
InChI=1S/C6H7NO4S2/c1-11-6(8)4-2-12-3-5(4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKey
BMRZKWAGTSKCLW-UHFFFAOYSA-N
Compound name
methyl 4-sulfamoylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

220.98164 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.98892 145.3
[M+Na]+ 243.97086 154.3
[M-H]- 219.97436 148.9
[M+NH4]+ 239.01546 165.3
[M+K]+ 259.94480 151.3
[M+H-H2O]+ 203.97890 140.2
[M+HCOO]- 265.97984 159.4
[M+CH3COO]- 279.99549 182.5
[M+Na-2H]- 241.95631 146.1
[M]+ 220.98109 148.8
[M]- 220.98219 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