CID 3077966

136410-35-0

Structural Information

Molecular Formula
C20H28F3NO2
SMILES
CCCCCCCCOC1CCC(=O)N1CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H28F3NO2/c1-2-3-4-5-6-7-13-26-19-12-11-18(25)24(19)15-16-9-8-10-17(14-16)20(21,22)23/h8-10,14,19H,2-7,11-13,15H2,1H3
InChIKey
GFGYTWXVHRLVAW-UHFFFAOYSA-N
Compound name
5-octoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.2072 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21448 195.6
[M+Na]+ 394.19642 202.4
[M+NH4]+ 389.24102 199.3
[M+K]+ 410.17036 197.1
[M-H]- 370.19992 192.6
[M+Na-2H]- 392.18187 196.6
[M]+ 371.20665 195.3
[M]- 371.20775 195.3
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

patents stripe