CID 222037

6284-26-0

Structural Information

Molecular Formula

C₁₁H₈BrNO₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)CBr

InChI

InChI=1S/C11H8BrNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2

InChIKey

AZJGOLHFNVIVMO-UHFFFAOYSA-N

Compound name

2-(3-bromo-2-oxopropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 280.96875 Da
Monoisotopic Mass: 1.9
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]+	281.97603	155.0
[M+Na]+	303.95797	157.1
[M+NH4]+	299.00257	158.5
[M+K]+	319.93191	159.1
[M-H]-	279.96147	153.7
[M+Na-2H]-	301.94342	155.3
[M]+	280.96820	153.4
[M]-	280.96930	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe