CID 3022066

Brn 6524724

Structural Information

Molecular Formula
C14H16F3NO2
SMILES
CCCN1C(=O)CCC1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C14H16F3NO2/c1-2-8-18-12(19)6-7-13(18,20)10-4-3-5-11(9-10)14(15,16)17/h3-5,9,20H,2,6-8H2,1H3
InChIKey
SQCXPRWFMATVNS-UHFFFAOYSA-N
Compound name
5-hydroxy-1-propyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12058 161.8
[M+Na]+ 310.10252 170.5
[M-H]- 286.10602 162.3
[M+NH4]+ 305.14712 179.5
[M+K]+ 326.07646 166.0
[M+H-H2O]+ 270.11056 153.4
[M+HCOO]- 332.11150 177.2
[M+CH3COO]- 346.12715 196.8
[M+Na-2H]- 308.08797 163.3
[M]+ 287.11275 157.2
[M]- 287.11385 157.2
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.