CID 252028

Mls002693844

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO₃

SMILES

C1=CC=C(C=C1)NC(=O)OCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO3/c16-11-6-7-14(13(17)10-11)20-8-9-21-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)

InChIKey

VJLQHTWIMFFHJC-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenoxy)ethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 325.02725 Da
Monoisotopic Mass: 4.4
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]+	326.03453	169.1
[M+Na]+	348.01647	177.5
[M-H]-	324.01997	175.2
[M+NH4]+	343.06107	184.3
[M+K]+	363.99041	171.9
[M+H-H2O]+	308.02451	162.8
[M+HCOO]-	370.02545	184.5
[M+CH3COO]-	384.04110	205.0
[M+Na-2H]-	346.00192	173.2
[M]+	325.02670	175.1
[M]-	325.02780	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe