CID 14909780

2-chloro-1-(5-chlorofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₆H₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C6H4Cl2O2/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2

InChIKey

LYOMNBLEGDSONB-UHFFFAOYSA-N

Compound name

2-chloro-1-(5-chlorofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 177.95883 Da
Monoisotopic Mass: 2.6
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]+	178.96611	131.2
[M+Na]+	200.94805	141.8
[M-H]-	176.95155	135.3
[M+NH4]+	195.99265	153.1
[M+K]+	216.92199	138.9
[M+H-H2O]+	160.95609	128.0
[M+HCOO]-	222.95703	146.3
[M+CH3COO]-	236.97268	176.2
[M+Na-2H]-	198.93350	136.4
[M]+	177.95828	135.9
[M]-	177.95938	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe