CID 302844

1-(2,5-dichlorophenyl)-3-phenylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.01703 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.024306 159.7
[M+Na]+ 303.006248 168.3
[M-H]- 279.009754 165.9
[M+NH4]+ 298.050853 176.5
[M+K]+ 318.980188 161.8
[M+H-H2O]+ 263.014290 153.9
[M+HCOO]- 325.015231 176.3
[M+CH3COO]- 339.030881 200.0
[M+Na-2H]- 300.991696 165.0
[M]+ 280.01648142 161.5
[M]- 280.01757858 161.5
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

patents stripe