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]+	267.99678	152.7
[M+Na]+	289.97872	155.3
[M+NH4]+	285.02332	157.0
[M+K]+	305.95266	156.9
[M-H]-	265.98222	152.1
[M+Na-2H]-	287.96417	153.6
[M]+	266.98895	151.5
[M]-	266.99005	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe