CID 723119

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

Structural Information

Molecular Formula
C15H12F3NO
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO/c1-10-5-7-11(8-6-10)14(20)19-13-4-2-3-12(9-13)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKey
DSGGHRHTHCRAAW-UHFFFAOYSA-N
Compound name
4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

279.0871 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09438 164.5
[M+Na]+ 302.07632 174.8
[M+NH4]+ 297.12092 170.2
[M+K]+ 318.05026 168.4
[M-H]- 278.07982 164.2
[M+Na-2H]- 300.06177 170.9
[M]+ 279.08655 165.7
[M]- 279.08765 165.7
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