CID 23052703

1-(4-fluorophenyl)pyrrolidin-3-one

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1CN(CC1=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H10FNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4H,5-7H2
InChIKey
AJNISUOPOAVWCL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

179.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 135.0
[M+Na]+ 202.063868 143.5
[M-H]- 178.067374 139.3
[M+NH4]+ 197.108473 155.5
[M+K]+ 218.037808 140.6
[M+H-H2O]+ 162.071910 127.4
[M+HCOO]- 224.072851 156.8
[M+CH3COO]- 238.088501 179.3
[M+Na-2H]- 200.049316 138.7
[M]+ 179.07410142 131.6
[M]- 179.07519858 131.6
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