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]+ 295.10528 163.9
[M+Na]+ 317.08722 171.0
[M-H]- 293.09072 166.9
[M+NH4]+ 312.13182 178.6
[M+K]+ 333.06116 166.3
[M+H-H2O]+ 277.09526 153.6
[M+HCOO]- 339.09620 184.6
[M+CH3COO]- 353.11185 205.8
[M+Na-2H]- 315.07267 168.3
[M]+ 294.09745 158.6
[M]- 294.09855 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