CID 4226433

N-(1-benzyl-2,2,2-trifluoro-ethyl)-benzamide

Structural Information

Molecular Formula
C16H14F3NO
SMILES
C1=CC=C(C=C1)CC(C(F)(F)F)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14F3NO/c17-16(18,19)14(11-12-7-3-1-4-8-12)20-15(21)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,20,21)
InChIKey
OMMYNTCMVSHGPD-UHFFFAOYSA-N
Compound name
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10275 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11003 164.6
[M+Na]+ 316.09197 170.0
[M-H]- 292.09547 166.7
[M+NH4]+ 311.13657 179.0
[M+K]+ 332.06591 165.5
[M+H-H2O]+ 276.10001 154.3
[M+HCOO]- 338.10095 182.9
[M+CH3COO]- 352.11660 202.9
[M+Na-2H]- 314.07742 168.4
[M]+ 293.10220 159.1
[M]- 293.10330 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.