CID 4085652

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

Structural Information

Molecular Formula
C13H7Cl5N2O
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl5N2O/c14-6-4-9(17)12(10(18)5-6)20-13(21)19-11-7(15)2-1-3-8(11)16/h1-5H,(H2,19,20,21)
InChIKey
OUMBVHQIWMEVCC-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(2,4,6-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.90012 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.90740 179.9
[M+Na]+ 404.88934 189.1
[M-H]- 380.89284 181.3
[M+NH4]+ 399.93394 192.1
[M+K]+ 420.86328 182.8
[M+H-H2O]+ 364.89738 176.3
[M+HCOO]- 426.89832 179.4
[M+CH3COO]- 440.91397 218.8
[M+Na-2H]- 402.87479 178.6
[M]+ 381.89957 180.8
[M]- 381.90067 180.8
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.