CID 3235606

1-(3-chlorobenzyl)imidazolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

C1CN(C(=O)N1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H11ClN2O/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-3,6H,4-5,7H2,(H,12,14)

InChIKey

BWBAZKSTBCFLBK-UHFFFAOYSA-N

Compound name

1-[(3-chlorophenyl)methyl]imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 7
Patents: 210.05598 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]+	211.063256	144.8
[M+Na]+	233.045198	153.4
[M-H]-	209.048704	147.2
[M+NH4]+	228.089803	162.8
[M+K]+	249.019138	148.1
[M+H-H2O]+	193.053240	137.5
[M+HCOO]-	255.054181	159.9
[M+CH3COO]-	269.069831	156.8
[M+Na-2H]-	231.030646	147.8
[M]+	210.05543142	142.8
[M]-	210.05652858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe