CID 2794593

112539-09-0

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-3-8(4-6-9)12-7-1-2-10(12)13/h3-6H,1-2,7H2

InChIKey

OUAVTZYGHGCCCB-UHFFFAOYSA-N

Compound name

4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 259.007 Da
Monoisotopic Mass: 1.4
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]+	260.01428	154.3
[M+Na]+	281.99622	164.4
[M-H]-	257.99972	160.5
[M+NH4]+	277.04082	173.1
[M+K]+	297.97016	159.8
[M+H-H2O]+	242.00426	149.0
[M+HCOO]-	304.00520	166.6
[M+CH3COO]-	318.02085	187.1
[M+Na-2H]-	279.98167	155.8
[M]+	259.00645	157.2
[M]-	259.00755	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe