CID 528085

Ethyl 2-chlorophenylcarbamate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CCOC(=O)NC1=CC=CC=C1Cl

InChI

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

InChIKey

SUMRDHQNSILLDV-UHFFFAOYSA-N

Compound name

ethyl N-(2-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 199.04001 Da
Monoisotopic Mass: 2.5
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]+	200.04729	139.7
[M+Na]+	222.02923	148.1
[M-H]-	198.03273	143.5
[M+NH4]+	217.07383	159.8
[M+K]+	238.00317	145.0
[M+H-H2O]+	182.03727	134.7
[M+HCOO]-	244.03821	160.5
[M+CH3COO]-	258.05386	183.8
[M+Na-2H]-	220.01468	145.8
[M]+	199.03946	142.7
[M]-	199.04056	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe