CID 210138

Brn 2892373

Structural Information

Molecular Formula
C19H20F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C19H20F3NO/c1-14(12-16-8-5-9-17(13-16)19(20,21)22)23-18(24)11-10-15-6-3-2-4-7-15/h2-9,13-14H,10-12H2,1H3,(H,23,24)
InChIKey
DCQFMCXGWBAAIG-UHFFFAOYSA-N
Compound name
3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1497 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.156976 178.6
[M+Na]+ 358.138918 183.5
[M-H]- 334.142424 180.5
[M+NH4]+ 353.183523 191.5
[M+K]+ 374.112858 178.4
[M+H-H2O]+ 318.146960 167.8
[M+HCOO]- 380.147901 195.8
[M+CH3COO]- 394.163551 213.0
[M+Na-2H]- 356.124366 179.9
[M]+ 335.14915142 174.5
[M]- 335.15024858 174.5
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.