CID 5016971

3-chlorophenyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO₂

SMILES

C1=CC(=CC(=C1)Cl)OC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H9Cl2NO2/c14-9-4-6-11(7-5-9)16-13(17)18-12-3-1-2-10(15)8-12/h1-8H,(H,16,17)

InChIKey

IBUNOQPIIVTONT-UHFFFAOYSA-N

Compound name

(3-chlorophenyl) N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.00104 Da
Monoisotopic Mass: 4.6
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]+	282.008316	157.5
[M+Na]+	303.990258	166.9
[M-H]-	279.993764	163.9
[M+NH4]+	299.034863	174.5
[M+K]+	319.964198	161.0
[M+H-H2O]+	263.998300	151.8
[M+HCOO]-	325.999241	173.3
[M+CH3COO]-	340.014891	197.2
[M+Na-2H]-	301.975706	162.6
[M]+	281.00049142	161.3
[M]-	281.00158858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.