CID 1074760

2-(4-chlorophenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
C1CN(CCN1)C(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey
TYCJFZIWSCJVJW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

56
Patents

254.0822 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08948 155.9
[M+Na]+ 277.07142 168.5
[M+NH4]+ 272.11602 163.4
[M+K]+ 293.04536 161.7
[M-H]- 253.07492 157.9
[M+Na-2H]- 275.05687 162.4
[M]+ 254.08165 158.3
[M]- 254.08275 158.3
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