CID 853650

13256-88-7

Structural Information

Molecular Formula

C₁₇H₁₂Cl₂N₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O/c18-14-9-8-12(10-15(14)19)20-17(22)21-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H2,20,21,22)

InChIKey

SVTIFPBMTCCBSF-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-3-naphthalen-1-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 330.03265 Da
Monoisotopic Mass: 5.9
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]+	331.039926	172.4
[M+Na]+	353.021868	181.6
[M-H]-	329.025374	179.3
[M+NH4]+	348.066473	188.2
[M+K]+	368.995808	174.0
[M+H-H2O]+	313.029910	165.9
[M+HCOO]-	375.030851	187.4
[M+CH3COO]-	389.046501	183.6
[M+Na-2H]-	351.007316	178.2
[M]+	330.03210142	175.1
[M]-	330.03319858	175.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.