CID 45358772

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

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1C(CNC1=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H10FNO/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
InChIKey
RAATVVLZQPDIED-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.07465 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 135.7
[M+Na]+ 202.063868 143.7
[M-H]- 178.067374 138.5
[M+NH4]+ 197.108473 155.5
[M+K]+ 218.037808 139.8
[M+H-H2O]+ 162.071910 128.3
[M+HCOO]- 224.072851 155.9
[M+CH3COO]- 238.088501 176.7
[M+Na-2H]- 200.049316 138.9
[M]+ 179.07410142 130.3
[M]- 179.07519858 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