CID 255649

1-o-tolyl-3-(3-trifluoromethyl-phenyl)-urea

Structural Information

Molecular Formula
C15H13F3N2O
SMILES
CC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H13F3N2O/c1-10-5-2-3-8-13(10)20-14(21)19-12-7-4-6-11(9-12)15(16,17)18/h2-9H,1H3,(H2,19,20,21)
InChIKey
PUQBXRKJAINERF-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

294.098 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.105276 163.9
[M+Na]+ 317.087218 171.0
[M-H]- 293.090724 166.9
[M+NH4]+ 312.131823 178.6
[M+K]+ 333.061158 166.3
[M+H-H2O]+ 277.095260 153.6
[M+HCOO]- 339.096201 184.6
[M+CH3COO]- 353.111851 205.8
[M+Na-2H]- 315.072666 168.3
[M]+ 294.09745142 158.6
[M]- 294.09854858 158.6
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

patents stripe