CID 59692078

6-bromo-3,4-dihydro-2h-1-benzopyran-8-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

C1CC2=C(C(=CC(=C2)Br)C=O)OC1

InChI

InChI=1S/C10H9BrO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2

InChIKey

DPBZAXYEYVZIKC-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-2H-chromene-8-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 239.97859 Da
Monoisotopic Mass: 2.4
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]+	240.985866	142.9
[M+Na]+	262.967808	154.3
[M-H]-	238.971314	150.6
[M+NH4]+	258.012413	164.1
[M+K]+	278.941748	144.8
[M+H-H2O]+	222.975850	143.4
[M+HCOO]-	284.976791	161.5
[M+CH3COO]-	298.992441	188.1
[M+Na-2H]-	260.953256	152.0
[M]+	239.97804142	161.3
[M]-	239.97913858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe