CID 16769083

1019058-85-5

Structural Information

Molecular Formula

C₁₂H₁₅FN₂O

SMILES

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

InChI

InChI=1S/C12H15FN2O/c13-11-3-1-10(2-4-11)12(16)9-15-7-5-14-6-8-15/h1-4,14H,5-9H2

InChIKey

GKVYVCOSTKZVOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 222.11684 Da
Monoisotopic Mass: 1.1
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]+	223.124116	150.1
[M+Na]+	245.106058	155.0
[M-H]-	221.109564	150.3
[M+NH4]+	240.150663	164.3
[M+K]+	261.079998	150.9
[M+H-H2O]+	205.114100	140.6
[M+HCOO]-	267.115041	165.0
[M+CH3COO]-	281.130691	185.6
[M+Na-2H]-	243.091506	153.3
[M]+	222.11629142	142.7
[M]-	222.11738858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe