CID 694463

2199-87-3

Structural Information

Molecular Formula

C₁₀H₅BrO₄

SMILES

C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O

InChI

InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)

InChIKey

XFQHPAXNKDYMOX-UHFFFAOYSA-N

Compound name

6-bromo-2-oxochromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 65
Patents: 267.93713 Da
Monoisotopic Mass: 2.9
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]+	268.94441	142.0
[M+Na]+	290.92635	146.7
[M+NH4]+	285.97095	146.3
[M+K]+	306.90029	147.9
[M-H]-	266.92985	143.1
[M+Na-2H]-	288.91180	144.8
[M]+	267.93658	141.8
[M]-	267.93768	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe