CID 47002711

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

Structural Information

Molecular Formula
C7H11F2NO
SMILES
C1CN(CCC1=O)CC(F)F
InChI
InChI=1S/C7H11F2NO/c8-7(9)5-10-3-1-6(11)2-4-10/h7H,1-5H2
InChIKey
DYLIPBUMUVWHAZ-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

163.08087 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08815 132.1
[M+Na]+ 186.07009 138.2
[M-H]- 162.07359 131.0
[M+NH4]+ 181.11469 151.2
[M+K]+ 202.04403 137.0
[M+H-H2O]+ 146.07813 124.1
[M+HCOO]- 208.07907 148.9
[M+CH3COO]- 222.09472 177.6
[M+Na-2H]- 184.05554 135.2
[M]+ 163.08032 125.6
[M]- 163.08142 125.6
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