CID 45051064

N-(2,4-dichlorobenzoyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C15H9Cl2F3N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H9Cl2F3N2O2/c16-9-4-5-11(12(17)7-9)13(23)22-14(24)21-10-3-1-2-8(6-10)15(18,19)20/h1-7H,(H2,21,22,23,24)
InChIKey
KMCWJYQWEAEWLN-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.99933 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.00661 176.6
[M+Na]+ 398.98855 185.8
[M-H]- 374.99205 179.3
[M+NH4]+ 394.03315 189.7
[M+K]+ 414.96249 178.8
[M+H-H2O]+ 358.99659 168.3
[M+HCOO]- 420.99753 187.4
[M+CH3COO]- 435.01318 216.3
[M+Na-2H]- 396.97400 178.4
[M]+ 375.99878 176.1
[M]- 375.99988 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.