CID 13076388

(2,4-difluorophenyl)(piperidin-4-yl)methanone hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
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

literature stripe

Patent stripe

patents stripe