CID 125225

N-amino-3-bromophenylsuccinimide

Structural Information

Molecular Formula

C₁₀H₉BrN₂O₂

SMILES

C1C(C(=O)N(C1=O)N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13(12)10(8)15/h1-4,8H,5,12H2

InChIKey

QWNKHWJMJANJRD-UHFFFAOYSA-N

Compound name

1-amino-3-(3-bromophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 267.98474 Da
Monoisotopic Mass: 0.8
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]+	268.992016	150.1
[M+Na]+	290.973958	162.4
[M-H]-	266.977464	158.2
[M+NH4]+	286.018563	170.4
[M+K]+	306.947898	150.6
[M+H-H2O]+	250.982000	149.1
[M+HCOO]-	312.982941	171.1
[M+CH3COO]-	326.998591	194.2
[M+Na-2H]-	288.959406	153.4
[M]+	267.98419142	166.2
[M]-	267.98528858	166.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.