CID 4135083

Methyl 4,5-dibromo-2-furancarboxylate

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: 91
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	139.2
[M+Na]+	304.84194	151.5
[M-H]-	280.84544	147.1
[M+NH4]+	299.88654	159.5
[M+K]+	320.81588	138.4
[M+H-H2O]+	264.84998	147.5
[M+HCOO]-	326.85092	156.3
[M+CH3COO]-	340.86657	198.9
[M+Na-2H]-	302.82739	145.7
[M]+	281.85217	175.7
[M]-	281.85327	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe