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 160.6
[M+Na]+ 293.10720 165.8
[M-H]- 269.11070 159.7
[M+NH4]+ 288.15180 173.0
[M+K]+ 309.08114 162.0
[M+H-H2O]+ 253.11524 150.1
[M+HCOO]- 315.11618 173.2
[M+CH3COO]- 329.13183 194.9
[M+Na-2H]- 291.09265 160.7
[M]+ 270.11743 153.6
[M]- 270.11853 153.6
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