CID 18423072

223513-14-2

Structural Information

Molecular Formula

C₁₁H₁₅FN₂

SMILES

CC1=C(C=CC(=C1)F)N2CCNCC2

InChI

InChI=1S/C11H15FN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

InChIKey

QBLQGSYVHVJZKI-UHFFFAOYSA-N

Compound name

1-(4-fluoro-2-methylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 194.12193 Da
Monoisotopic Mass: 2.3
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]+	195.12921	143.7
[M+Na]+	217.11115	150.0
[M-H]-	193.11465	144.3
[M+NH4]+	212.15575	159.6
[M+K]+	233.08509	145.7
[M+H-H2O]+	177.11919	134.6
[M+HCOO]-	239.12013	159.5
[M+CH3COO]-	253.13578	154.5
[M+Na-2H]-	215.09660	147.8
[M]+	194.12138	136.2
[M]-	194.12248	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe