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

2
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

patents stripe