CID 3044239

Brn 1477592

Structural Information

Molecular Formula

C₁₁H₁₀F₃NO₂

SMILES

C1CC(NC1=O)(C2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-2-7(6-8)10(17)5-4-9(16)15-10/h1-3,6,17H,4-5H2,(H,15,16)

InChIKey

AVRJMHGSIAZZQT-UHFFFAOYSA-N

Compound name

5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 245.06636 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.07364	149.3
[M+Na]+	268.05558	157.9
[M-H]-	244.05908	148.5
[M+NH4]+	263.10018	167.7
[M+K]+	284.02952	153.3
[M+H-H2O]+	228.06362	141.4
[M+HCOO]-	290.06456	164.2
[M+CH3COO]-	304.08021	184.1
[M+Na-2H]-	266.04103	152.5
[M]+	245.06581	141.4
[M]-	245.06691	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe