CID 3086702

111711-69-4

Structural Information

Molecular Formula
C12H14ClNO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H14ClNO4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-6-4-3-5-9(10)13/h3-6,12H,2,7-8H2,1H3
InChIKey
SOAFCTVEWMJHAT-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.040476 165.4
[M+Na]+ 326.022418 175.2
[M-H]- 302.025924 171.6
[M+NH4]+ 321.067023 182.6
[M+K]+ 341.996358 170.7
[M+H-H2O]+ 286.030460 159.9
[M+HCOO]- 348.031401 177.3
[M+CH3COO]- 362.047051 196.4
[M+Na-2H]- 324.007866 165.7
[M]+ 303.03265142 170.8
[M]- 303.03374858 170.8
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.