CID 3086688

Brn 4759394

Structural Information

Molecular Formula
C12H13Cl2NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H13Cl2NO4S/c1-2-19-12-6-5-11(16)15(12)20(17,18)8-3-4-9(13)10(14)7-8/h3-4,7,12H,2,5-6H2,1H3
InChIKey
MCGKUICRVXYIEI-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.99423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00151 171.2
[M+Na]+ 359.98345 181.9
[M-H]- 335.98695 177.2
[M+NH4]+ 355.02805 187.7
[M+K]+ 375.95739 176.5
[M+H-H2O]+ 319.99149 166.6
[M+HCOO]- 381.99243 177.9
[M+CH3COO]- 396.00808 202.0
[M+Na-2H]- 357.96890 170.2
[M]+ 336.99368 177.9
[M]- 336.99478 177.9
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.