CID 20770567

1-(2,4-difluorophenyl)piperidin-4-one

Structural Information

Molecular Formula
C11H11F2NO
SMILES
C1CN(CCC1=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H11F2NO/c12-8-1-2-11(10(13)7-8)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKey
IPHZDXYCDOEZDZ-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

211.08087 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08815 142.9
[M+Na]+ 234.07009 150.9
[M-H]- 210.07359 145.5
[M+NH4]+ 229.11469 160.3
[M+K]+ 250.04403 147.2
[M+H-H2O]+ 194.07813 133.6
[M+HCOO]- 256.07907 160.9
[M+CH3COO]- 270.09472 186.6
[M+Na-2H]- 232.05554 146.2
[M]+ 211.08032 136.7
[M]- 211.08142 136.7
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