CID 28282641

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-one

Structural Information

Molecular Formula
C12H13ClFNO
SMILES
C1CN(CCC1=O)CC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C12H13ClFNO/c13-11-2-1-3-12(14)10(11)8-15-6-4-9(16)5-7-15/h1-3H,4-8H2
InChIKey
ZXSQLODBMKKLKU-UHFFFAOYSA-N
Compound name
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06697 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07425 150.5
[M+Na]+ 264.05619 158.8
[M-H]- 240.05969 154.0
[M+NH4]+ 259.10079 167.6
[M+K]+ 280.03013 153.5
[M+H-H2O]+ 224.06423 142.6
[M+HCOO]- 286.06517 164.6
[M+CH3COO]- 300.08082 190.7
[M+Na-2H]- 262.04164 153.4
[M]+ 241.06642 147.9
[M]- 241.06752 147.9
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.