CID 3086691

Brn 4757083

Structural Information

Molecular Formula
C12H14ClNO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H14ClNO4S/c1-2-18-12-7-6-11(15)14(12)19(16,17)10-5-3-4-9(13)8-10/h3-5,8,12H,2,6-7H2,1H3
InChIKey
PKBBGPITHJOHPB-UHFFFAOYSA-N
Compound name
1-(3-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 166.0
[M+Na]+ 326.02242 177.3
[M+NH4]+ 321.06702 172.9
[M+K]+ 341.99636 171.7
[M-H]- 302.02592 166.9
[M+Na-2H]- 324.00787 170.4
[M]+ 303.03265 168.5
[M]- 303.03375 168.5
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.