CID 11972041

958827-59-3

Structural Information

Molecular Formula

C₁₂H₁₇FN₂O

SMILES

C1CN(CCN1)C(CO)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2

InChIKey

SHOJFVWBAXHOEC-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-2-piperazin-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 224.13249 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.139766	151.6
[M+Na]+	247.121708	155.8
[M-H]-	223.125214	150.4
[M+NH4]+	242.166313	165.1
[M+K]+	263.095648	151.4
[M+H-H2O]+	207.129750	142.3
[M+HCOO]-	269.130691	164.8
[M+CH3COO]-	283.146341	184.0
[M+Na-2H]-	245.107156	154.3
[M]+	224.13194142	143.1
[M]-	224.13303858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe