CID 53471

76325-66-1

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₃

SMILES

CC(=O)CC1(C2=C(C=CC(=C2)Br)NC1=O)O

InChI

InChI=1S/C11H10BrNO3/c1-6(14)5-11(16)8-4-7(12)2-3-9(8)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)

InChIKey

JIEOWMKDHNNNHF-UHFFFAOYSA-N

Compound name

5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 282.9844 Da
Monoisotopic Mass: 0.9
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]+	283.991676	153.6
[M+Na]+	305.973618	166.2
[M-H]-	281.977124	157.5
[M+NH4]+	301.018223	175.5
[M+K]+	321.947558	154.1
[M+H-H2O]+	265.981660	154.9
[M+HCOO]-	327.982601	170.1
[M+CH3COO]-	341.998251	191.0
[M+Na-2H]-	303.959066	158.5
[M]+	282.98385142	171.7
[M]-	282.98494858	171.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.