CID 129979401

4-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

C1C(CNC1=O)C2=CC(=C(C=C2)O)F

InChI

InChI=1S/C10H10FNO2/c11-8-3-6(1-2-9(8)13)7-4-10(14)12-5-7/h1-3,7,13H,4-5H2,(H,12,14)

InChIKey

PKYQYASGFRCQQQ-UHFFFAOYSA-N

Compound name

4-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.06955 Da
Monoisotopic Mass: 0.7
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]+	196.076826	139.1
[M+Na]+	218.058768	147.6
[M-H]-	194.062274	141.0
[M+NH4]+	213.103373	157.8
[M+K]+	234.032708	143.3
[M+H-H2O]+	178.066810	132.1
[M+HCOO]-	240.067751	158.0
[M+CH3COO]-	254.083401	177.4
[M+Na-2H]-	216.044216	141.2
[M]+	195.06900142	133.8
[M]-	195.07009858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.