CID 9993147

158205-18-6

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CC(=O)NC1=C(C=C2C(=C1)CCC2=O)Br

InChI

InChI=1S/C11H10BrNO2/c1-6(14)13-10-4-7-2-3-11(15)8(7)5-9(10)12/h4-5H,2-3H2,1H3,(H,13,14)

InChIKey

YHERMLQVYMECSV-UHFFFAOYSA-N

Compound name

N-(6-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
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]+	267.99678	152.4
[M+Na]+	289.97872	164.2
[M-H]-	265.98222	159.8
[M+NH4]+	285.02332	175.3
[M+K]+	305.95266	152.9
[M+H-H2O]+	249.98676	152.5
[M+HCOO]-	311.98770	173.6
[M+CH3COO]-	326.00335	195.6
[M+Na-2H]-	287.96417	157.1
[M]+	266.98895	170.6
[M]-	266.99005	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe