CID 2757011

5-bromofuran-2-carbonyl chloride

Structural Information

Molecular Formula

C₅H₂BrClO₂

SMILES

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

InChI

InChI=1S/C5H2BrClO2/c6-4-2-1-3(9-4)5(7)8/h1-2H

InChIKey

QLVNUZPODFIOGC-UHFFFAOYSA-N

Compound name

5-bromofuran-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 261
Patents: 207.89267 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]+	208.89995	132.2
[M+Na]+	230.88189	146.4
[M-H]-	206.88539	139.7
[M+NH4]+	225.92649	156.1
[M+K]+	246.85583	136.1
[M+H-H2O]+	190.88993	134.1
[M+HCOO]-	252.89087	150.5
[M+CH3COO]-	266.90652	179.1
[M+Na-2H]-	228.86734	139.8
[M]+	207.89212	153.9
[M]-	207.89322	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe