CID 5174746

1-(2-chlorophenyl)-3-(2,4,6-trichlorophenyl)urea

Structural Information

Molecular Formula
C13H8Cl4N2O
SMILES
C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl4N2O/c14-7-5-9(16)12(10(17)6-7)19-13(20)18-11-4-2-1-3-8(11)15/h1-6H,(H2,18,19,20)
InChIKey
XIJSGGCFPYKKRS-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(2,4,6-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9391 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.946376 172.8
[M+Na]+ 370.928318 182.3
[M-H]- 346.931824 176.2
[M+NH4]+ 365.972923 186.9
[M+K]+ 386.902258 175.3
[M+H-H2O]+ 330.936360 168.5
[M+HCOO]- 392.937301 178.0
[M+CH3COO]- 406.952951 212.4
[M+Na-2H]- 368.913766 173.9
[M]+ 347.93855142 175.0
[M]- 347.93964858 175.0
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.