CID 1188013

N-[4-chloro-3-(trifluoromethyl)phenyl]-n'-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C14H8Cl3F3N2O
SMILES
C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(F)(F)F)Cl
InChI
InChI=1S/C14H8Cl3F3N2O/c15-10-3-1-7(5-9(10)14(18,19)20)21-13(23)22-8-2-4-11(16)12(17)6-8/h1-6H,(H2,21,22,23)
InChIKey
MVMXTBDUXJGRAR-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

381.96542 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.972696 176.2
[M+Na]+ 404.954638 186.6
[M-H]- 380.958144 177.9
[M+NH4]+ 399.999243 189.5
[M+K]+ 420.928578 178.6
[M+H-H2O]+ 364.962680 168.8
[M+HCOO]- 426.963621 182.5
[M+CH3COO]- 440.979271 217.5
[M+Na-2H]- 402.940086 177.6
[M]+ 381.96487142 176.1
[M]- 381.96596858 176.1
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