CID 24688940

4-(2,5-difluorobenzoyl)piperidine hydrochloride

Structural Information

Molecular Formula
C12H13F2NO
SMILES
C1CNCCC1C(=O)C2=C(C=CC(=C2)F)F
InChI
InChI=1S/C12H13F2NO/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2
InChIKey
INRALMPDEWIMBO-UHFFFAOYSA-N
Compound name
(2,5-difluorophenyl)-piperidin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

225.09653 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10381 148.2
[M+Na]+ 248.08575 154.1
[M-H]- 224.08925 148.9
[M+NH4]+ 243.13035 163.9
[M+K]+ 264.05969 149.7
[M+H-H2O]+ 208.09379 139.0
[M+HCOO]- 270.09473 163.3
[M+CH3COO]- 284.11038 186.8
[M+Na-2H]- 246.07120 150.0
[M]+ 225.09598 139.5
[M]- 225.09708 139.5
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

patents stripe