CID 4115479

25217-00-9

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

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

InChI

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

InChIKey

PBGOFQLVRXLEKB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.04001 Da
Monoisotopic Mass: 2.8
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]+	212.047286	143.2
[M+Na]+	234.029228	151.5
[M-H]-	210.032734	146.9
[M+NH4]+	229.073833	162.7
[M+K]+	250.003168	147.6
[M+H-H2O]+	194.037270	138.1
[M+HCOO]-	256.038211	163.9
[M+CH3COO]-	270.053861	185.9
[M+Na-2H]-	232.014676	148.8
[M]+	211.03946142	145.8
[M]-	211.04055858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe