CID 11435906

1-(4-chlorobenzenesulfonyl)aziridine

Structural Information

Molecular Formula

C₈H₈ClNO₂S

SMILES

C1CN1S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C8H8ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)10-5-6-10/h1-4H,5-6H2

InChIKey

WUYWBQDHJYOXBP-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonylaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 216.99643 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]+	218.003706	139.8
[M+Na]+	239.985648	151.3
[M-H]-	215.989154	146.4
[M+NH4]+	235.030253	153.6
[M+K]+	255.959588	146.4
[M+H-H2O]+	199.993690	133.8
[M+HCOO]-	261.994631	153.6
[M+CH3COO]-	276.010281	184.3
[M+Na-2H]-	237.971096	145.0
[M]+	216.99588142	145.8
[M]-	216.99697858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe