CID 12537669

17357-32-3

Structural Information

Molecular Formula

C₆H₄Br₂O₂

SMILES

C1=C(OC(=C1)Br)C(=O)CBr

InChI

InChI=1S/C6H4Br2O2/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2

InChIKey

WTFKIDCAQZPAHP-UHFFFAOYSA-N

Compound name

2-bromo-1-(5-bromofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 265.8578 Da
Monoisotopic Mass: 2.8
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]+	266.865076	138.2
[M+Na]+	288.847018	150.0
[M-H]-	264.850524	145.8
[M+NH4]+	283.891623	158.8
[M+K]+	304.820958	136.5
[M+H-H2O]+	248.855060	146.7
[M+HCOO]-	310.856001	155.1
[M+CH3COO]-	324.871651	197.0
[M+Na-2H]-	286.832466	145.1
[M]+	265.85725142	173.5
[M]-	265.85834858	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe