CID 14118868

115749-41-2

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1CC2=CC=CC=C2OC1C(=O)CBr

InChI

InChI=1S/C11H11BrO2/c12-7-9(13)11-6-5-8-3-1-2-4-10(8)14-11/h1-4,11H,5-7H2

InChIKey

HPTKNVTUACARLC-UHFFFAOYSA-N

Compound name

2-bromo-1-(3,4-dihydro-2H-chromen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 253.99425 Da
Monoisotopic Mass: 2.8
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]+	255.001526	148.7
[M+Na]+	276.983468	158.5
[M-H]-	252.986974	155.9
[M+NH4]+	272.028073	168.9
[M+K]+	292.957408	149.2
[M+H-H2O]+	236.991510	148.9
[M+HCOO]-	298.992451	166.0
[M+CH3COO]-	313.008101	190.6
[M+Na-2H]-	274.968916	156.7
[M]+	253.99370142	166.4
[M]-	253.99479858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe