CID 3022058

Brn 6515051

Structural Information

Molecular Formula
C12H12F3NO2
SMILES
CN1C(=O)CCC1(C2=CC=C(C=C2)C(F)(F)F)O
InChI
InChI=1S/C12H12F3NO2/c1-16-10(17)6-7-11(16,18)8-2-4-9(5-3-8)12(13,14)15/h2-5,18H,6-7H2,1H3
InChIKey
XNSZESNVBJATMM-UHFFFAOYSA-N
Compound name
5-hydroxy-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08928 160.8
[M+Na]+ 282.07122 168.9
[M+NH4]+ 277.11582 166.8
[M+K]+ 298.04516 164.1
[M-H]- 258.07472 157.6
[M+Na-2H]- 280.05667 164.9
[M]+ 259.08145 160.8
[M]- 259.08255 160.8
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.