CID 717593

Ec 600-780-8

Structural Information

Molecular Formula
C9H11NO6S2
SMILES
COC(=O)CNS(=O)(=O)C1=C(SC=C1)C(=O)OC
InChI
InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
InChIKey
KUTKKTKUSGIBPZ-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.00278 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01006 163.6
[M+Na]+ 315.99200 170.6
[M-H]- 291.99550 167.0
[M+NH4]+ 311.03660 180.6
[M+K]+ 331.96594 168.3
[M+H-H2O]+ 276.00004 157.8
[M+HCOO]- 338.00098 177.0
[M+CH3COO]- 352.01663 195.6
[M+Na-2H]- 313.97745 164.0
[M]+ 293.00223 170.5
[M]- 293.00333 170.5
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

No patent data available for this compound.