CID 1562694

Butyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₂

SMILES

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

InChI

InChI=1S/C11H13Cl2NO2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6H2,1H3,(H,14,15)

InChIKey

SYAGECNPOQGRIW-UHFFFAOYSA-N

Compound name

butyl N-(3,4-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 261.03235 Da
Monoisotopic Mass: 4.8
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]+	262.03963	153.9
[M+Na]+	284.02157	167.0
[M+NH4]+	279.06617	162.1
[M+K]+	299.99551	159.5
[M-H]-	260.02507	155.9
[M+Na-2H]-	282.00702	160.1
[M]+	261.03180	156.8
[M]-	261.03290	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe