CID 83241

13214-53-4

Structural Information

Molecular Formula

C₄H₅ClN₂O₂

SMILES

C1CN(C(=O)N1)C(=O)Cl

InChI

InChI=1S/C4H5ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H,6,9)

InChIKey

NXJZQSRAFBHNLI-UHFFFAOYSA-N

Compound name

2-oxoimidazolidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 398
Patents: 148.00395 Da
Monoisotopic Mass: 0.2
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]+	149.01123	126.7
[M+Na]+	170.99317	135.5
[M-H]-	146.99667	126.1
[M+NH4]+	166.03777	147.0
[M+K]+	186.96711	132.9
[M+H-H2O]+	131.00121	121.1
[M+HCOO]-	193.00215	141.7
[M+CH3COO]-	207.01780	167.3
[M+Na-2H]-	168.97862	130.1
[M]+	148.00340	124.4
[M]-	148.00450	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe