CID 11277209

1-(4-bromobenzoyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₃BrN₂O

SMILES

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

InChI

InChI=1S/C11H13BrN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2

InChIKey

WLJZWLGUPJDGIL-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 268.02112 Da
Monoisotopic Mass: 1.4
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]+	269.028396	152.5
[M+Na]+	291.010338	160.9
[M-H]-	267.013844	157.0
[M+NH4]+	286.054943	169.0
[M+K]+	306.984278	149.2
[M+H-H2O]+	251.018380	151.1
[M+HCOO]-	313.019321	166.9
[M+CH3COO]-	327.034971	189.4
[M+Na-2H]-	288.995786	157.9
[M]+	268.02057142	165.0
[M]-	268.02166858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe