CID 3044058

1-piperazineethanol, 4-(4-fluorobenzoyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H17FN2O2
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H17FN2O2/c14-12-3-1-11(2-4-12)13(18)16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-10H2
InChIKey
SNOHJHZYBSARMD-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12741 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13469 158.0
[M+Na]+ 275.11663 163.4
[M-H]- 251.12013 158.4
[M+NH4]+ 270.16123 171.3
[M+K]+ 291.09057 159.6
[M+H-H2O]+ 235.12467 148.3
[M+HCOO]- 297.12561 172.7
[M+CH3COO]- 311.14126 191.2
[M+Na-2H]- 273.10208 159.8
[M]+ 252.12686 152.7
[M]- 252.12796 152.7
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

No patent data available for this compound.