CID 775592

1-[3-fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H16FNO
SMILES
CC(=O)C1=CC(=C(C=C1)N2CCCCC2)F
InChI
InChI=1S/C13H16FNO/c1-10(16)11-5-6-13(12(14)9-11)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKey
AOKPJIGYKRAPCQ-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-piperidin-1-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

221.1216 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12888 149.2
[M+Na]+ 244.11082 155.0
[M-H]- 220.11432 152.5
[M+NH4]+ 239.15542 165.9
[M+K]+ 260.08476 151.8
[M+H-H2O]+ 204.11886 140.5
[M+HCOO]- 266.11980 166.6
[M+CH3COO]- 280.13545 189.6
[M+Na-2H]- 242.09627 151.5
[M]+ 221.12105 143.8
[M]- 221.12215 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe