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]+ 322.141336 173.1
[M+Na]+ 344.123278 180.3
[M-H]- 320.126784 176.1
[M+NH4]+ 339.167883 187.3
[M+K]+ 360.097218 175.6
[M+H-H2O]+ 304.131320 163.4
[M+HCOO]- 366.132261 190.2
[M+CH3COO]- 380.147911 210.2
[M+Na-2H]- 342.108726 176.6
[M]+ 321.13351142 169.1
[M]- 321.13460858 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.