CID 39082924

849630-82-6

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CC(C)C1=CC(=CC2=C1NC(=O)C2=O)Br

InChI

InChI=1S/C11H10BrNO2/c1-5(2)7-3-6(12)4-8-9(7)13-11(15)10(8)14/h3-5H,1-2H3,(H,13,14,15)

InChIKey

WFUBYVFLEJSKTL-UHFFFAOYSA-N

Compound name

5-bromo-7-propan-2-yl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 266.9895 Da
Monoisotopic Mass: 2.5
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]+	267.996776	151.8
[M+Na]+	289.978718	165.0
[M-H]-	265.982224	157.1
[M+NH4]+	285.023323	173.4
[M+K]+	305.952658	153.0
[M+H-H2O]+	249.986760	152.4
[M+HCOO]-	311.987701	169.5
[M+CH3COO]-	326.003351	192.8
[M+Na-2H]-	287.964166	155.2
[M]+	266.98895142	170.1
[M]-	266.99004858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe