CID 105462669

4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H12FNO2
SMILES
C1C(=O)NCC1(CO)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H12FNO2/c12-9-3-1-2-8(4-9)11(7-14)5-10(15)13-6-11/h1-4,14H,5-7H2,(H,13,15)
InChIKey
ANATXLHNPHKWLU-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0852 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 146.6
[M+Na]+ 232.07442 156.8
[M+NH4]+ 227.11902 154.9
[M+K]+ 248.04836 151.0
[M-H]- 208.07792 146.7
[M+Na-2H]- 230.05987 152.8
[M]+ 209.08465 147.9
[M]- 209.08575 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.