CID 4842

Pipobroman

Structural Information

Molecular Formula

C₁₀H₁₆Br₂N₂O₂

SMILES

C1CN(CCN1C(=O)CCBr)C(=O)CCBr

InChI

InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2

InChIKey

NJBFOOCLYDNZJN-UHFFFAOYSA-N

Compound name

3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 122
References: 71718
Patents: 353.95786 Da
Monoisotopic Mass: 0.4
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]+	354.96514	153.2
[M+Na]+	376.94708	161.0
[M-H]-	352.95058	156.8
[M+NH4]+	371.99168	168.3
[M+K]+	392.92102	146.0
[M+H-H2O]+	336.95512	160.2
[M+HCOO]-	398.95606	163.4
[M+CH3COO]-	412.97171	209.9
[M+Na-2H]-	374.93253	156.8
[M]+	353.95731	185.2
[M]-	353.95841	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe