CID 853863

2204-74-2

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

CC1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl2NO2/c1-9-2-5-11(6-3-9)19-14(18)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H,17,18)

InChIKey

YGOZWJLOFNGIEV-UHFFFAOYSA-N

Compound name

(4-methylphenyl) N-(3,4-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 295.0167 Da
Monoisotopic Mass: 5.5
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]+	296.023976	162.0
[M+Na]+	318.005918	171.8
[M-H]-	294.009424	168.6
[M+NH4]+	313.050523	178.8
[M+K]+	333.979858	165.8
[M+H-H2O]+	278.013960	156.3
[M+HCOO]-	340.014901	177.4
[M+CH3COO]-	354.030551	201.3
[M+Na-2H]-	315.991366	165.8
[M]+	295.01615142	166.6
[M]-	295.01724858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe