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 152.6
[M+Na]+ 282.07122 162.1
[M-H]- 258.07472 153.5
[M+NH4]+ 277.11582 171.5
[M+K]+ 298.04516 158.2
[M+H-H2O]+ 242.07926 144.6
[M+HCOO]- 304.08020 168.7
[M+CH3COO]- 318.09585 190.8
[M+Na-2H]- 280.05667 155.2
[M]+ 259.08145 147.3
[M]- 259.08255 147.3
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.