CID 1988398

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

Structural Information

Molecular Formula

C₆H₄Br₂OS

SMILES

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

InChI

InChI=1S/C6H4Br2OS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2

InChIKey

OZBXRAVUJGCRFN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 136
Patents: 281.83496 Da
Monoisotopic Mass: 3.4
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]+	282.84224	134.5
[M+Na]+	304.82418	128.9
[M+NH4]+	299.86878	137.0
[M+K]+	320.79812	135.9
[M-H]-	280.82768	135.0
[M+Na-2H]-	302.80963	135.9
[M]+	281.83441	132.9
[M]-	281.83551	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe