CID 3595998

79505-50-3

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO₂

SMILES

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

InChI

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

InChIKey

WSDQIHATCCOMLH-UHFFFAOYSA-N

Compound name

phenyl N-(3,5-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3527
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]+	282.00832	157.5
[M+Na]+	303.99026	166.9
[M-H]-	279.99376	163.9
[M+NH4]+	299.03486	174.5
[M+K]+	319.96420	161.0
[M+H-H2O]+	263.99830	151.8
[M+HCOO]-	325.99924	173.3
[M+CH3COO]-	340.01489	197.2
[M+Na-2H]-	301.97571	162.6
[M]+	281.00049	161.3
[M]-	281.00159	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe