CID 66545100

1057282-45-7

Structural Information

Molecular Formula
C12H12ClF3N2O
SMILES
C1CN(CCC1=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C12H12ClF3N2O/c13-10-5-8(12(14,15)16)6-17-11(10)7-18-3-1-9(19)2-4-18/h5-6H,1-4,7H2
InChIKey
YVDPSHXJFQEAIE-UHFFFAOYSA-N
Compound name
1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05902 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06630 164.1
[M+Na]+ 315.04824 174.2
[M+NH4]+ 310.09284 169.2
[M+K]+ 331.02218 168.1
[M-H]- 291.05174 161.8
[M+Na-2H]- 313.03369 168.3
[M]+ 292.05847 164.8
[M]- 292.05957 164.8
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.