CID 2756837

70639-82-6

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)CBr

InChI

InChI=1S/C11H10BrNO2/c12-6-10(14)8-1-3-9-7(5-8)2-4-11(15)13-9/h1,3,5H,2,4,6H2,(H,13,15)

InChIKey

CCMOBQFBGOEGEN-UHFFFAOYSA-N

Compound name

6-(2-bromoacetyl)-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
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	149.9
[M+Na]+	289.97872	160.2
[M-H]-	265.98222	154.1
[M+NH4]+	285.02332	169.0
[M+K]+	305.95266	148.4
[M+H-H2O]+	249.98676	149.7
[M+HCOO]-	311.98770	165.6
[M+CH3COO]-	326.00335	191.0
[M+Na-2H]-	287.96417	156.2
[M]+	266.98895	165.5
[M]-	266.99005	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe