CID 16646085

Methyl 5-chloro-3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate

Structural Information

Molecular Formula
C9H10ClNO6S2
SMILES
COC(=O)CNS(=O)(=O)C1=C(SC(=C1)Cl)C(=O)OC
InChI
InChI=1S/C9H10ClNO6S2/c1-16-7(12)4-11-19(14,15)5-3-6(10)18-8(5)9(13)17-2/h3,11H,4H2,1-2H3
InChIKey
SHOKLCGTXCHVRZ-UHFFFAOYSA-N
Compound name
methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.9638 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.97108 167.8
[M+Na]+ 349.95302 175.9
[M-H]- 325.95652 171.9
[M+NH4]+ 344.99762 184.5
[M+K]+ 365.92696 172.2
[M+H-H2O]+ 309.96106 163.5
[M+HCOO]- 371.96200 176.8
[M+CH3COO]- 385.97765 200.4
[M+Na-2H]- 347.93847 167.4
[M]+ 326.96325 176.8
[M]- 326.96435 176.8
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

No patent data available for this compound.