CID 690137

13256-73-0

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂N₂O

SMILES

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

InChI

InChI=1S/C14H12Cl2N2O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H2,17,18,19)

InChIKey

LBQIPCOCAIGLPZ-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-3-(4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 294.03265 Da
Monoisotopic Mass: 5.1
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]+	295.03993	164.7
[M+Na]+	317.02187	179.8
[M+NH4]+	312.06647	173.6
[M+K]+	332.99581	170.9
[M-H]-	293.02537	170.2
[M+Na-2H]-	315.00732	173.9
[M]+	294.03210	169.0
[M]-	294.03320	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe