CID 65392961

1-[(4-fluorophenyl)methyl]-2-oxocyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C13H12FNO
SMILES
C1CC(=O)C(C1)(CC2=CC=C(C=C2)F)C#N
InChI
InChI=1S/C13H12FNO/c14-11-5-3-10(4-6-11)8-13(9-15)7-1-2-12(13)16/h3-6H,1-2,7-8H2
InChIKey
DESPVLOOVFWUNZ-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-2-oxocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09029 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09757 149.2
[M+Na]+ 240.07951 160.5
[M+NH4]+ 235.12411 155.2
[M+K]+ 256.05345 149.9
[M-H]- 216.08301 143.7
[M+Na-2H]- 238.06496 154.0
[M]+ 217.08974 148.5
[M]- 217.09084 148.5
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.