CID 214900

3-(trifluoromethyl)-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C15H9F6NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H9F6NO/c16-14(17,18)10-4-1-3-9(7-10)13(23)22-12-6-2-5-11(8-12)15(19,20)21/h1-8H,(H,22,23)
InChIKey
NPZNMNGHSHHBPY-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.05884 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06612 168.8
[M+Na]+ 356.04806 177.5
[M-H]- 332.05156 168.1
[M+NH4]+ 351.09266 182.1
[M+K]+ 372.02200 172.0
[M+H-H2O]+ 316.05610 156.6
[M+HCOO]- 378.05704 183.5
[M+CH3COO]- 392.07269 209.7
[M+Na-2H]- 354.03351 171.9
[M]+ 333.05829 160.0
[M]- 333.05939 160.0
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