CID 302845

1-(2,4-dichlorophenyl)-3-phenylurea

Structural Information

Molecular Formula
C13H10Cl2N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKey
XXDUZFWJFHGDKF-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01703 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02431 160.2
[M+Na]+ 303.00625 175.1
[M+NH4]+ 298.05085 169.3
[M+K]+ 318.98019 166.3
[M-H]- 279.00975 165.7
[M+Na-2H]- 300.99170 169.9
[M]+ 280.01648 164.5
[M]- 280.01758 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.