CID 154638

149418-41-7

Structural Information

Molecular Formula

C₄H₂Br₂O₂

SMILES

C1C(=C(C(=O)O1)Br)Br

InChI

InChI=1S/C4H2Br2O2/c5-2-1-8-4(7)3(2)6/h1H2

InChIKey

UBAYSWXSWXORAN-UHFFFAOYSA-N

Compound name

3,4-dibromo-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 239.84215 Da
Monoisotopic Mass: 1.5
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]+	240.84943	129.8
[M+Na]+	262.83137	142.4
[M-H]-	238.83487	137.6
[M+NH4]+	257.87597	151.4
[M+K]+	278.80531	129.1
[M+H-H2O]+	222.83941	138.7
[M+HCOO]-	284.84035	146.9
[M+CH3COO]-	298.85600	193.0
[M+Na-2H]-	260.81682	137.5
[M]+	239.84160	164.2
[M]-	239.84270	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe