CID 17972733

429682-68-8

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CC(=O)NC1=C(C2=C(C=C1)C(=O)CC2)Br

InChI

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

InChIKey

NOPOZCKGQSEONF-UHFFFAOYSA-N

Compound name

N-(4-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 266.9895 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]+	267.996776	152.4
[M+Na]+	289.978718	164.2
[M-H]-	265.982224	159.8
[M+NH4]+	285.023323	175.3
[M+K]+	305.952658	152.9
[M+H-H2O]+	249.986760	152.5
[M+HCOO]-	311.987701	173.6
[M+CH3COO]-	326.003351	195.6
[M+Na-2H]-	287.964166	157.1
[M]+	266.98895142	170.6
[M]-	266.99004858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe