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

25
Patents

179.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 135.0
[M+Na]+ 202.06387 143.5
[M-H]- 178.06737 139.3
[M+NH4]+ 197.10847 155.5
[M+K]+ 218.03781 140.6
[M+H-H2O]+ 162.07191 127.4
[M+HCOO]- 224.07285 156.8
[M+CH3COO]- 238.08850 179.3
[M+Na-2H]- 200.04932 138.7
[M]+ 179.07410 131.6
[M]- 179.07520 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