CID 1893281

N-(3,5-bis(trifluoromethyl)phenyl)-n'-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C15H8Cl2F6N2O
SMILES
C1=CC(=C(C=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C15H8Cl2F6N2O/c16-11-2-1-9(6-12(11)17)24-13(26)25-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H2,24,25,26)
InChIKey
KJCZOWAPWIFPPX-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

415.9918 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.99908 182.4
[M+Na]+ 438.98102 193.2
[M-H]- 414.98452 181.6
[M+NH4]+ 434.02562 194.1
[M+K]+ 454.95496 184.8
[M+H-H2O]+ 398.98906 171.7
[M+HCOO]- 460.99000 189.0
[M+CH3COO]- 475.00565 223.9
[M+Na-2H]- 436.96647 183.6
[M]+ 415.99125 178.0
[M]- 415.99235 178.0
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

No patent data available for this compound.