CID 10045305

6,3'-dibromoflavone

Structural Information

Molecular Formula

C₁₅H₈Br₂O₂

SMILES

C1=CC(=CC(=C1)Br)C2=CC(=O)C3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H

InChIKey

UIPGLQFPZVUUQW-UHFFFAOYSA-N

Compound name

6-bromo-2-(3-bromophenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 10
Patents: 377.8891 Da
Monoisotopic Mass: 5.4
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]+	378.896376	159.5
[M+Na]+	400.878318	171.0
[M-H]-	376.881824	170.2
[M+NH4]+	395.922923	176.0
[M+K]+	416.852258	157.4
[M+H-H2O]+	360.886360	167.3
[M+HCOO]-	422.887301	175.0
[M+CH3COO]-	436.902951	173.4
[M+Na-2H]-	398.863766	167.4
[M]+	377.88855142	195.3
[M]-	377.88964858	195.3

Literature stripe

literature stripe

Patent stripe

patents stripe