CID 3045446

1-(p-fluorobenzyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C11H12FNO
SMILES
C1CC(=O)N(C1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2
InChIKey
KZKRGOSWLGSOEZ-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

193.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09757 139.7
[M+Na]+ 216.07951 147.7
[M-H]- 192.08301 143.7
[M+NH4]+ 211.12411 159.6
[M+K]+ 232.05345 144.5
[M+H-H2O]+ 176.08755 131.8
[M+HCOO]- 238.08849 161.1
[M+CH3COO]- 252.10414 182.3
[M+Na-2H]- 214.06496 142.8
[M]+ 193.08974 136.6
[M]- 193.09084 136.6
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

No patent data available for this compound.