CID 4135083

Methyl 4,5-dibromo-2-furoate

Structural Information

Molecular Formula

C₆H₄Br₂O₃

SMILES

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

InChI

InChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3

InChIKey

OIOPUTCGINQNRL-UHFFFAOYSA-N

Compound name

methyl 4,5-dibromofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 281.85272 Da
Monoisotopic Mass: 2.9
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]+	282.86000	149.9
[M+Na]+	304.84194	144.3
[M+NH4]+	299.88654	151.4
[M+K]+	320.81588	152.4
[M-H]-	280.84544	150.3
[M+Na-2H]-	302.82739	149.8
[M]+	281.85217	148.0
[M]-	281.85327	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe