CID 13293373

5-(4-fluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1CC(=O)NC1C2=CC=C(C=C2)F
InChI
InChI=1S/C10H10FNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKey
PMDKRVJPWNBFEM-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

179.07465 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 135.7
[M+Na]+ 202.06387 143.7
[M-H]- 178.06737 138.5
[M+NH4]+ 197.10847 155.5
[M+K]+ 218.03781 139.8
[M+H-H2O]+ 162.07191 128.3
[M+HCOO]- 224.07285 155.9
[M+CH3COO]- 238.08850 176.7
[M+Na-2H]- 200.04932 138.9
[M]+ 179.07410 130.3
[M]- 179.07520 130.3
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

patents stripe