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: 20
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]+	262.039626	154.4
[M+Na]+	284.021568	163.3
[M-H]-	260.025074	157.6
[M+NH4]+	279.066173	172.7
[M+K]+	299.995508	158.2
[M+H-H2O]+	244.029610	150.1
[M+HCOO]-	306.030551	169.4
[M+CH3COO]-	320.046201	195.5
[M+Na-2H]-	282.007016	158.0
[M]+	261.03180142	159.6
[M]-	261.03289858	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe