CID 22718324

2-(4-fluorophenoxy)-1-(piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H15FN2O2
SMILES
C1CN(CCN1)C(=O)COC2=CC=C(C=C2)F
InChI
InChI=1S/C12H15FN2O2/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
UDBHBSDKADXKIT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

238.11176 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11904 153.3
[M+Na]+ 261.10098 158.2
[M-H]- 237.10448 153.5
[M+NH4]+ 256.14558 166.9
[M+K]+ 277.07492 154.6
[M+H-H2O]+ 221.10902 143.6
[M+HCOO]- 283.10996 168.4
[M+CH3COO]- 297.12561 187.1
[M+Na-2H]- 259.08643 156.5
[M]+ 238.11121 147.3
[M]- 238.11231 147.3
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