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]+ 382.97270 176.2
[M+Na]+ 404.95464 186.6
[M-H]- 380.95814 177.9
[M+NH4]+ 399.99924 189.5
[M+K]+ 420.92858 178.6
[M+H-H2O]+ 364.96268 168.8
[M+HCOO]- 426.96362 182.5
[M+CH3COO]- 440.97927 217.5
[M+Na-2H]- 402.94009 177.6
[M]+ 381.96487 176.1
[M]- 381.96597 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.