CID 735926

2-amino-6-bromo-3-formylchromone

Structural Information

Molecular Formula

C₁₀H₆BrNO₃

SMILES

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

InChI

InChI=1S/C10H6BrNO3/c11-5-1-2-8-6(3-5)9(14)7(4-13)10(12)15-8/h1-4H,12H2

InChIKey

AUIUQJYBTPKQGS-UHFFFAOYSA-N

Compound name

2-amino-6-bromo-4-oxochromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 266.95312 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]+	267.960396	145.6
[M+Na]+	289.942338	159.6
[M-H]-	265.945844	153.9
[M+NH4]+	284.986943	165.5
[M+K]+	305.916278	149.0
[M+H-H2O]+	249.950380	145.0
[M+HCOO]-	311.951321	167.3
[M+CH3COO]-	325.966971	195.1
[M+Na-2H]-	287.927786	154.4
[M]+	266.95257142	166.3
[M]-	266.95366858	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe