CID 3077967

136410-36-1

Structural Information

Molecular Formula
C20H28F3NO2
SMILES
CCCCCCCCOC1CCC(=O)N1CC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C20H28F3NO2/c1-2-3-4-5-6-7-14-26-19-13-12-18(25)24(19)15-16-8-10-17(11-9-16)20(21,22)23/h8-11,19H,2-7,12-15H2,1H3
InChIKey
IRJMJLBOJVWJFQ-UHFFFAOYSA-N
Compound name
5-octoxy-1-[[4-(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 190.4
[M+Na]+ 394.19642 195.8
[M-H]- 370.19992 190.6
[M+NH4]+ 389.24102 203.2
[M+K]+ 410.17036 190.5
[M+H-H2O]+ 354.20446 179.5
[M+HCOO]- 416.20540 205.0
[M+CH3COO]- 430.22105 217.6
[M+Na-2H]- 392.18187 187.7
[M]+ 371.20665 189.3
[M]- 371.20775 189.3
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