CID 265996

1-phenyl-3-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C14H11F3N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H11F3N2O/c15-14(16,17)10-5-4-8-12(9-10)19-13(20)18-11-6-2-1-3-7-11/h1-9H,(H2,18,19,20)
InChIKey
IIAHUDXQGBQWKX-UHFFFAOYSA-N
Compound name
1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

18
Patents

280.08234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08962 158.9
[M+Na]+ 303.07156 165.5
[M-H]- 279.07506 161.7
[M+NH4]+ 298.11616 173.9
[M+K]+ 319.04550 161.0
[M+H-H2O]+ 263.07960 148.6
[M+HCOO]- 325.08054 180.0
[M+CH3COO]- 339.09619 201.6
[M+Na-2H]- 301.05701 164.7
[M]+ 280.08179 152.9
[M]- 280.08289 152.9
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

patents stripe