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: 107
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	145.2
[M+Na]+	217.11115	157.7
[M+NH4]+	212.15575	153.3
[M+K]+	233.08509	150.4
[M-H]-	193.11465	147.1
[M+Na-2H]-	215.09660	152.1
[M]+	194.12138	147.3
[M]-	194.12248	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe