CID 43144

Brn 1473823

Structural Information

Molecular Formula
C14H16FNO2
SMILES
C1CC(=O)N(C1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H16FNO2/c15-12-7-5-11(6-8-12)13(17)3-1-9-16-10-2-4-14(16)18/h5-8H,1-4,9-10H2
InChIKey
INRNFRNDWDRRMU-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)-4-oxobutyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1165 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12378 155.9
[M+Na]+ 272.10572 162.4
[M-H]- 248.10922 159.5
[M+NH4]+ 267.15032 173.3
[M+K]+ 288.07966 158.9
[M+H-H2O]+ 232.11376 147.4
[M+HCOO]- 294.11470 175.6
[M+CH3COO]- 308.13035 193.4
[M+Na-2H]- 270.09117 156.2
[M]+ 249.11595 153.9
[M]- 249.11705 153.9
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.