CID 32780

25070-79-5

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C10H10ClNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h2-5,7H,1,6H2,(H,12,13)

InChIKey

AKUHKJFFZQUCEH-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 211.04001 Da
Monoisotopic Mass: 3.2
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]+	212.04729	143.2
[M+Na]+	234.02923	155.8
[M+NH4]+	229.07383	151.3
[M+K]+	250.00317	148.8
[M-H]-	210.03273	145.2
[M+Na-2H]-	232.01468	149.8
[M]+	211.03946	145.7
[M]-	211.04056	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe