CID 667535

1-(4-chlorophenyl)sulfonylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1CC(=O)N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKey
MNKFPWSNHAGXGA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.007 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 154.5
[M+Na]+ 281.99622 166.3
[M+NH4]+ 277.04082 162.2
[M+K]+ 297.97016 160.4
[M-H]- 257.99972 155.9
[M+Na-2H]- 279.98167 159.9
[M]+ 259.00645 157.2
[M]- 259.00755 157.2
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

patents stripe