CID 54592976

2-(3-fluorophenyl)-2-(piperazin-1-yl)ethan-1-ol dihydrochloride

Structural Information

Molecular Formula
C12H17FN2O
SMILES
C1CN(CCN1)C(CO)C2=CC(=CC=C2)F
InChI
InChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-16)15-6-4-14-5-7-15/h1-3,8,12,14,16H,4-7,9H2
InChIKey
OIVILSICNXCPDH-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-2-piperazin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13249 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13977 152.8
[M+Na]+ 247.12171 163.3
[M+NH4]+ 242.16631 159.7
[M+K]+ 263.09565 157.3
[M-H]- 223.12521 153.4
[M+Na-2H]- 245.10716 158.2
[M]+ 224.13194 154.1
[M]- 224.13304 154.1
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.