CID 3022059

Brn 6527421

Structural Information

Molecular Formula
C15H18F3NO2
SMILES
CCCCN1C(=O)CCC1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C15H18F3NO2/c1-2-3-9-19-13(20)7-8-14(19,21)11-5-4-6-12(10-11)15(16,17)18/h4-6,10,21H,2-3,7-9H2,1H3
InChIKey
BLRDASGFCGHOHT-UHFFFAOYSA-N
Compound name
1-butyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12897 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13625 166.4
[M+Na]+ 324.11819 174.6
[M-H]- 300.12169 166.6
[M+NH4]+ 319.16279 183.5
[M+K]+ 340.09213 169.9
[M+H-H2O]+ 284.12623 157.8
[M+HCOO]- 346.12717 181.4
[M+CH3COO]- 360.14282 199.7
[M+Na-2H]- 322.10364 167.3
[M]+ 301.12842 162.1
[M]- 301.12952 162.1
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.