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 143.6
[M+Na]+ 232.07442 151.6
[M-H]- 208.07792 145.3
[M+NH4]+ 227.11902 163.4
[M+K]+ 248.04836 147.3
[M+H-H2O]+ 192.08246 136.8
[M+HCOO]- 254.08340 162.2
[M+CH3COO]- 268.09905 178.8
[M+Na-2H]- 230.05987 147.0
[M]+ 209.08465 138.5
[M]- 209.08575 138.5
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.