CID 1085228

4,5-dibromofuran-2-carbaldehyde

Structural Information

Molecular Formula

C₅H₂Br₂O₂

SMILES

C1=C(OC(=C1Br)Br)C=O

InChI

InChI=1S/C5H2Br2O2/c6-4-1-3(2-8)9-5(4)7/h1-2H

InChIKey

CRHHCCZDQZBLPL-UHFFFAOYSA-N

Compound name

4,5-dibromofuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 251.84215 Da
Monoisotopic Mass: 2.5
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]+	252.84943	131.6
[M+Na]+	274.83137	144.7
[M-H]-	250.83487	139.6
[M+NH4]+	269.87597	152.9
[M+K]+	290.80531	131.0
[M+H-H2O]+	234.83941	140.4
[M+HCOO]-	296.84035	149.6
[M+CH3COO]-	310.85600	195.0
[M+Na-2H]-	272.81682	139.6
[M]+	251.84160	167.4
[M]-	251.84270	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe