CID 51083

Brn 5523721

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

C1CN1C(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H10ClNO2/c11-8-1-3-9(4-2-8)14-7-10(13)12-5-6-12/h1-4H,5-7H2

InChIKey

NILQDNPVNRMYTN-UHFFFAOYSA-N

Compound name

1-(aziridin-1-yl)-2-(4-chlorophenoxy)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.04001 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]+	212.047286	143.2
[M+Na]+	234.029228	153.4
[M-H]-	210.032734	149.2
[M+NH4]+	229.073833	156.6
[M+K]+	250.003168	149.2
[M+H-H2O]+	194.037270	136.3
[M+HCOO]-	256.038211	161.8
[M+CH3COO]-	270.053861	186.9
[M+Na-2H]-	232.014676	148.7
[M]+	211.03946142	148.5
[M]-	211.04055858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe