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 151.6
[M+Na]+ 247.12171 155.8
[M-H]- 223.12521 150.4
[M+NH4]+ 242.16631 165.1
[M+K]+ 263.09565 151.4
[M+H-H2O]+ 207.12975 142.3
[M+HCOO]- 269.13069 164.8
[M+CH3COO]- 283.14634 184.0
[M+Na-2H]- 245.10716 154.3
[M]+ 224.13194 143.1
[M]- 224.13304 143.1
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.