CID 57496

99304-36-6

Structural Information

Molecular Formula

C₁₀H₈BrNO₃

SMILES

CC(=O)OC1C2=C(C=CC(=C2)Br)NC1=O

InChI

InChI=1S/C10H8BrNO3/c1-5(13)15-9-7-4-6(11)2-3-8(7)12-10(9)14/h2-4,9H,1H3,(H,12,14)

InChIKey

LRSCNRJUCZUKPP-UHFFFAOYSA-N

Compound name

(5-bromo-2-oxo-1,3-dihydroindol-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.96875 Da
Monoisotopic Mass: 1.5
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]+	269.976026	150.4
[M+Na]+	291.957968	163.0
[M-H]-	267.961474	155.5
[M+NH4]+	287.002573	171.6
[M+K]+	307.931908	151.8
[M+H-H2O]+	251.966010	150.8
[M+HCOO]-	313.966951	168.7
[M+CH3COO]-	327.982601	190.2
[M+Na-2H]-	289.943416	155.0
[M]+	268.96820142	169.3
[M]-	268.96929858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.