CID 54594657

2-(2,3-difluorophenoxy)-1-(piperazin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C13H16F2N2O2
SMILES
CC(C(=O)N1CCNCC1)OC2=C(C(=CC=C2)F)F
InChI
InChI=1S/C13H16F2N2O2/c1-9(13(18)17-7-5-16-6-8-17)19-11-4-2-3-10(14)12(11)15/h2-4,9,16H,5-8H2,1H3
InChIKey
ISPDEVFDXFELFF-UHFFFAOYSA-N
Compound name
2-(2,3-difluorophenoxy)-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.11798 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12526 163.2
[M+Na]+ 293.10720 172.3
[M+NH4]+ 288.15180 168.2
[M+K]+ 309.08114 167.3
[M-H]- 269.11070 161.6
[M+Na-2H]- 291.09265 166.8
[M]+ 270.11743 163.5
[M]- 270.11853 163.5
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