CID 217221

38322-72-4

Structural Information

Molecular Formula

C₁₃H₁₁BrO₄

SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC(=C2)C)Br

InChI

InChI=1S/C13H11BrO4/c1-3-17-13(16)11-6-10(15)8-4-7(2)5-9(14)12(8)18-11/h4-6H,3H2,1-2H3

InChIKey

QMWCBNYGYPWUEO-UHFFFAOYSA-N

Compound name

ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 309.98407 Da
Monoisotopic Mass: 3.0
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]+	310.99135	154.1
[M+Na]+	332.97329	159.1
[M+NH4]+	328.01789	158.2
[M+K]+	348.94723	159.5
[M-H]-	308.97679	155.7
[M+Na-2H]-	330.95874	156.5
[M]+	309.98352	154.1
[M]-	309.98462	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe