CID 3086702

Brn 4758412

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]+ 304.04048 165.4
[M+Na]+ 326.02242 175.2
[M-H]- 302.02592 171.6
[M+NH4]+ 321.06702 182.6
[M+K]+ 341.99636 170.7
[M+H-H2O]+ 286.03046 159.9
[M+HCOO]- 348.03140 177.3
[M+CH3COO]- 362.04705 196.4
[M+Na-2H]- 324.00787 165.7
[M]+ 303.03265 170.8
[M]- 303.03375 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.