CID 217220

38322-71-3

Structural Information

Molecular Formula

C₁₂H₈Br₂O₄

SMILES

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

InChI

InChI=1S/C12H8Br2O4/c1-2-17-12(16)10-5-9(15)7-3-6(13)4-8(14)11(7)18-10/h3-5H,2H2,1H3

InChIKey

VFGSPHMOFHZRGB-UHFFFAOYSA-N

Compound name

ethyl 6,8-dibromo-4-oxochromene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.87894 Da
Monoisotopic Mass: 3.4
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]+	374.88622	153.3
[M+Na]+	396.86816	164.9
[M-H]-	372.87166	161.6
[M+NH4]+	391.91276	170.1
[M+K]+	412.84210	151.6
[M+H-H2O]+	356.87620	160.9
[M+HCOO]-	418.87714	168.1
[M+CH3COO]-	432.89279	213.5
[M+Na-2H]-	394.85361	160.2
[M]+	373.87839	191.3
[M]-	373.87949	191.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe