CID 417450

N-(1,1-diphenyl-2,2,2-trifluoroethyl)-acetamide

Structural Information

Molecular Formula
C16H14F3NO
SMILES
CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C16H14F3NO/c1-12(21)20-15(16(17,18)19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)
InChIKey
BMTNKSYHPHRYRB-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoro-1,1-diphenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.10275 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11003 164.0
[M+Na]+ 316.09197 170.1
[M-H]- 292.09547 166.5
[M+NH4]+ 311.13657 178.6
[M+K]+ 332.06591 165.7
[M+H-H2O]+ 276.10001 154.2
[M+HCOO]- 338.10095 181.8
[M+CH3COO]- 352.11660 202.6
[M+Na-2H]- 314.07742 169.9
[M]+ 293.10220 158.6
[M]- 293.10330 158.6
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.