CID 14925320

Ethyl 8-amino-6-bromo-4-oxo-4h-chromene-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₄

SMILES

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

InChI

InChI=1S/C12H10BrNO4/c1-2-17-12(16)10-5-9(15)7-3-6(13)4-8(14)11(7)18-10/h3-5H,2,14H2,1H3

InChIKey

LLHNRAVVVZFEGE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.9793 Da
Monoisotopic Mass: 2.0
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]+	311.986576	158.2
[M+Na]+	333.968518	170.8
[M-H]-	309.972024	166.1
[M+NH4]+	329.013123	176.3
[M+K]+	349.942458	161.0
[M+H-H2O]+	293.976560	157.0
[M+HCOO]-	355.977501	178.4
[M+CH3COO]-	369.993151	203.1
[M+Na-2H]-	331.953966	164.8
[M]+	310.97875142	180.2
[M]-	310.97984858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.