CID 667535

73096-15-8

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: 4
Patents: 259.007 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.014276	154.3
[M+Na]+	281.996218	164.4
[M-H]-	257.999724	160.5
[M+NH4]+	277.040823	173.1
[M+K]+	297.970158	159.8
[M+H-H2O]+	242.004260	149.0
[M+HCOO]-	304.005201	166.6
[M+CH3COO]-	318.020851	187.1
[M+Na-2H]-	279.981666	155.8
[M]+	259.00645142	157.2
[M]-	259.00754858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe