CID 255868

1-(3-chlorophenyl)-3-(3-trifluoromethylphenyl)urea

Structural Information

Molecular Formula
C14H10ClF3N2O
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C(F)(F)F
InChI
InChI=1S/C14H10ClF3N2O/c15-10-4-2-6-12(8-10)20-13(21)19-11-5-1-3-9(7-11)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKey
NDQIQDAGFAJVRK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.04337 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05065 165.3
[M+Na]+ 337.03259 173.7
[M-H]- 313.03609 168.3
[M+NH4]+ 332.07719 180.2
[M+K]+ 353.00653 167.4
[M+H-H2O]+ 297.04063 156.0
[M+HCOO]- 359.04157 181.9
[M+CH3COO]- 373.05722 206.4
[M+Na-2H]- 335.01804 169.9
[M]+ 314.04282 162.2
[M]- 314.04392 162.2
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