CID 2783066

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

Structural Information

Molecular Formula

C₁₀H₁₂FN₃O₂

SMILES

C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C10H12FN3O2/c11-9-7-8(14(15)16)1-2-10(9)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2

InChIKey

ZILOTWJFFLIFMZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 257
Patents: 225.09135 Da
Monoisotopic Mass: 1.3
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]+	226.09863	146.3
[M+Na]+	248.08057	151.6
[M-H]-	224.08407	147.2
[M+NH4]+	243.12517	159.9
[M+K]+	264.05451	143.8
[M+H-H2O]+	208.08861	141.6
[M+HCOO]-	270.08955	163.7
[M+CH3COO]-	284.10520	180.1
[M+Na-2H]-	246.06602	152.5
[M]+	225.09080	137.4
[M]-	225.09190	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe