CID 78516

(2-chloro-acetyl)-urea

Structural Information

Molecular Formula

C₃H₅ClN₂O₂

SMILES

C(C(=O)NC(=O)N)Cl

InChI

InChI=1S/C3H5ClN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)

InChIKey

UIXTUDLFNOIGRA-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 406
Patents: 136.00395 Da
Monoisotopic Mass: -0.1
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]+	137.01123	123.2
[M+Na]+	158.99317	131.8
[M+NH4]+	154.03777	130.2
[M+K]+	174.96711	128.3
[M-H]-	134.99667	122.2
[M+Na-2H]-	156.97862	126.2
[M]+	136.00340	123.9
[M]-	136.00450	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe