CID 1755771

122834-40-6

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₂

SMILES

CC(=C)CN1C2=C(C=C(C=C2)Br)C(=O)C1=O

InChI

InChI=1S/C12H10BrNO2/c1-7(2)6-14-10-4-3-8(13)5-9(10)11(15)12(14)16/h3-5H,1,6H2,2H3

InChIKey

RUGKDKWVOXRCGI-UHFFFAOYSA-N

Compound name

5-bromo-1-(2-methylprop-2-enyl)indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 278.9895 Da
Monoisotopic Mass: 2.9
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]+	279.996776	153.7
[M+Na]+	301.978718	167.3
[M-H]-	277.982224	160.2
[M+NH4]+	297.023323	175.5
[M+K]+	317.952658	155.4
[M+H-H2O]+	261.986760	154.1
[M+HCOO]-	323.987701	172.8
[M+CH3COO]-	338.003351	197.2
[M+Na-2H]-	299.964166	157.2
[M]+	278.98895142	173.5
[M]-	278.99004858	173.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.