CID 4163404

1-(3,5-dichloro-phenyl)-3-(3-trifluoromethyl-phenyl)-urea

Structural Information

Molecular Formula
C14H9Cl2F3N2O
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C14H9Cl2F3N2O/c15-9-5-10(16)7-12(6-9)21-13(22)20-11-3-1-2-8(4-11)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKey
MAEABYYIFWFTEG-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

348.0044 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01168 170.9
[M+Na]+ 370.99362 180.6
[M-H]- 346.99712 173.5
[M+NH4]+ 366.03822 185.2
[M+K]+ 386.96756 173.1
[M+H-H2O]+ 331.00166 162.6
[M+HCOO]- 393.00260 182.5
[M+CH3COO]- 407.01825 211.8
[M+Na-2H]- 368.97907 174.0
[M]+ 348.00385 169.8
[M]- 348.00495 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe