CID 4624936

2,3,4-trichlorophenyl n-phenylcarbamate

Structural Information

Molecular Formula

C₁₃H₈Cl₃NO₂

SMILES

C1=CC=C(C=C1)NC(=O)OC2=C(C(=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C13H8Cl3NO2/c14-9-6-7-10(12(16)11(9)15)19-13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18)

InChIKey

WGQKTXDSXBASRE-UHFFFAOYSA-N

Compound name

(2,3,4-trichlorophenyl) N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.96207 Da
Monoisotopic Mass: 4.7
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]+	315.969346	163.1
[M+Na]+	337.951288	173.2
[M-H]-	313.954794	168.5
[M+NH4]+	332.995893	179.1
[M+K]+	353.925228	166.8
[M+H-H2O]+	297.959330	158.3
[M+HCOO]-	359.960271	173.4
[M+CH3COO]-	373.975921	203.3
[M+Na-2H]-	335.936736	166.4
[M]+	314.96152142	167.6
[M]-	314.96261858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.