CID 850559

N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C14H9ClF3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H9ClF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKey
IEWWTKVYWQMDQW-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

299.03247 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03975 160.8
[M+Na]+ 322.02169 170.0
[M-H]- 298.02519 163.9
[M+NH4]+ 317.06629 176.6
[M+K]+ 337.99563 163.7
[M+H-H2O]+ 282.02973 151.8
[M+HCOO]- 344.03067 176.3
[M+CH3COO]- 358.04632 202.1
[M+Na-2H]- 320.00714 165.0
[M]+ 299.03192 158.5
[M]- 299.03302 158.5
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