CID 151973

3,4-dichloro-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula

C₄H₂Cl₂O₂

SMILES

C1C(=C(C(=O)O1)Cl)Cl

InChI

InChI=1S/C4H2Cl2O2/c5-2-1-8-4(7)3(2)6/h1H2

InChIKey

ULWRZZDLLPNFEW-UHFFFAOYSA-N

Compound name

3,4-dichloro-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 151.94319 Da
Monoisotopic Mass: 1.4
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]+	152.950466	123.1
[M+Na]+	174.932408	134.6
[M-H]-	150.935914	127.3
[M+NH4]+	169.977013	146.2
[M+K]+	190.906348	132.0
[M+H-H2O]+	134.940450	120.5
[M+HCOO]-	196.941391	138.3
[M+CH3COO]-	210.957041	170.9
[M+Na-2H]-	172.917856	129.0
[M]+	151.94264142	126.5
[M]-	151.94373858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe