CID 769282

1-(3,4-dichloro-phenyl)-3-o-tolyl-urea

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂N₂O

SMILES

CC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

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

InChIKey

DDQLMDQVUDQBHM-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	295.039926	164.6
[M+Na]+	317.021868	173.6
[M-H]-	293.025374	170.9
[M+NH4]+	312.066473	181.0
[M+K]+	332.995808	166.9
[M+H-H2O]+	277.029910	158.7
[M+HCOO]-	339.030851	180.7
[M+CH3COO]-	353.046501	204.1
[M+Na-2H]-	315.007316	168.5
[M]+	294.03210142	167.0
[M]-	294.03319858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe