CID 43144149

1094318-21-4

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CN1C(=O)CC2=C1C=CC(=C2)C(=O)CBr

InChI

InChI=1S/C11H10BrNO2/c1-13-9-3-2-7(10(14)6-12)4-8(9)5-11(13)15/h2-4H,5-6H2,1H3

InChIKey

AFJRFOAVZNECKN-UHFFFAOYSA-N

Compound name

5-(2-bromoacetyl)-1-methyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.9895 Da
Monoisotopic Mass: 1.4
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	151.5
[M+Na]+	289.978718	164.3
[M-H]-	265.982224	157.8
[M+NH4]+	285.023323	173.5
[M+K]+	305.952658	153.2
[M+H-H2O]+	249.986760	151.7
[M+HCOO]-	311.987701	170.7
[M+CH3COO]-	326.003351	194.1
[M+Na-2H]-	287.964166	156.0
[M]+	266.98895142	171.2
[M]-	266.99004858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe