CID 773715

4-tert-butyl-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C18H18F3NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H18F3NO/c1-17(2,3)13-9-7-12(8-10-13)16(23)22-15-6-4-5-14(11-15)18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChIKey
NNVRGFZIBKBTCM-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.13406 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14134 173.1
[M+Na]+ 344.12328 180.3
[M-H]- 320.12678 176.1
[M+NH4]+ 339.16788 187.3
[M+K]+ 360.09722 175.6
[M+H-H2O]+ 304.13132 163.4
[M+HCOO]- 366.13226 190.2
[M+CH3COO]- 380.14791 210.2
[M+Na-2H]- 342.10873 176.6
[M]+ 321.13351 169.1
[M]- 321.13461 169.1
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

No patent data available for this compound.