CID 17496

2621-80-9

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CCOC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

InChIKey

WSKXXIMERYQVGJ-UHFFFAOYSA-N

Compound name

ethyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 120
Patents: 199.04001 Da
Monoisotopic Mass: 2.9
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]+	200.04729	139.5
[M+Na]+	222.02923	152.2
[M+NH4]+	217.07383	147.9
[M+K]+	238.00317	145.6
[M-H]-	198.03273	141.7
[M+Na-2H]-	220.01468	146.5
[M]+	199.03946	142.1
[M]-	199.04056	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe