CID 11470921

2055119-43-0

Structural Information

Molecular Formula

C₁₀H₁₂BrFN₂

SMILES

C1CN(CCN1)C2=CC(=CC(=C2)Br)F

InChI

InChI=1S/C10H12BrFN2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2

InChIKey

ZROPTBSVNJFTLR-UHFFFAOYSA-N

Compound name

1-(3-bromo-5-fluorophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 258.01678 Da
Monoisotopic Mass: 2.2
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]+	259.02406	150.2
[M+Na]+	281.00600	159.9
[M-H]-	257.00950	153.7
[M+NH4]+	276.05060	167.4
[M+K]+	296.97994	147.5
[M+H-H2O]+	241.01404	148.1
[M+HCOO]-	303.01498	164.4
[M+CH3COO]-	317.03063	162.6
[M+Na-2H]-	278.99145	155.8
[M]+	258.01623	161.6
[M]-	258.01733	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe