CID 19279

3-chlorophenyl-n-carbamoylaziridine

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

C1CN1C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C9H9ClN2O/c10-7-2-1-3-8(6-7)11-9(13)12-4-5-12/h1-3,6H,4-5H2,(H,11,13)

InChIKey

HAECRABVOJPFTQ-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)aziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 196.04034 Da
Monoisotopic Mass: 1.9
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]+	197.047616	139.1
[M+Na]+	219.029558	149.1
[M-H]-	195.033064	145.2
[M+NH4]+	214.074163	153.0
[M+K]+	235.003498	144.4
[M+H-H2O]+	179.037600	132.4
[M+HCOO]-	241.038541	159.0
[M+CH3COO]-	255.054191	186.1
[M+Na-2H]-	217.015006	145.6
[M]+	196.03979142	142.0
[M]-	196.04088858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe