CID 93559

3,4-dibromo-5-hydroxyfuran-2(5h)-one

Structural Information

Molecular Formula

C₄H₂Br₂O₃

SMILES

C1(C(=C(C(=O)O1)Br)Br)O

InChI

InChI=1S/C4H2Br2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H

InChIKey

PKDBSOOYVOEUQR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1268
Patents: 255.83707 Da
Monoisotopic Mass: 1.0
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]+	256.84435	132.3
[M+Na]+	278.82629	144.9
[M-H]-	254.82979	139.2
[M+NH4]+	273.87089	152.9
[M+K]+	294.80023	131.0
[M+H-H2O]+	238.83433	141.0
[M+HCOO]-	300.83527	148.3
[M+CH3COO]-	314.85092	193.4
[M+Na-2H]-	276.81174	139.0
[M]+	255.83652	166.5
[M]-	255.83762	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe