CID 120896

1049697-98-4

Structural Information

Molecular Formula

C₁₁H₁₂F₃NO

SMILES

C1CNCC1(C2=CC=C(C=C2)C(F)(F)F)O

InChI

InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10(16)5-6-15-7-10/h1-4,15-16H,5-7H2

InChIKey

YEOWRYUFQAXJOT-UHFFFAOYSA-N

Compound name

3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 231.0871 Da
Monoisotopic Mass: 1.5
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]+	232.094376	147.7
[M+Na]+	254.076318	155.2
[M-H]-	230.079824	146.5
[M+NH4]+	249.120923	166.5
[M+K]+	270.050258	150.5
[M+H-H2O]+	214.084360	139.5
[M+HCOO]-	276.085301	162.2
[M+CH3COO]-	290.100951	181.7
[M+Na-2H]-	252.061766	151.3
[M]+	231.08655142	138.6
[M]-	231.08764858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe