CID 4147022

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

Structural Information

Molecular Formula
C13H9Cl3N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H9Cl3N2O/c14-8-6-10(15)12(11(16)7-8)18-13(19)17-9-4-2-1-3-5-9/h1-7H,(H2,17,18,19)
InChIKey
NABUWLZVGLOTHF-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2,4,6-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.97806 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98534 167.3
[M+Na]+ 336.96728 182.6
[M+NH4]+ 332.01188 176.1
[M+K]+ 352.94122 173.4
[M-H]- 312.97078 172.3
[M+Na-2H]- 334.95273 176.2
[M]+ 313.97751 171.8
[M]- 313.97861 171.8
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.