CID 792043

Piperazine, 1-(4-fluorobenzoyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C12H15FN2O
SMILES
CN1CCN(CC1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H15FN2O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
InChIKey
FPMSGWBYUWEXEG-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

222.11684 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12412 149.8
[M+Na]+ 245.10606 156.2
[M-H]- 221.10956 151.9
[M+NH4]+ 240.15066 165.2
[M+K]+ 261.08000 153.0
[M+H-H2O]+ 205.11410 140.3
[M+HCOO]- 267.11504 166.2
[M+CH3COO]- 281.13069 188.7
[M+Na-2H]- 243.09151 152.7
[M]+ 222.11629 144.6
[M]- 222.11739 144.6
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