CID 78968

1,4-dioxin

Structural Information

Molecular Formula

C₄H₄O₂

SMILES

C1=COC=CO1

InChI

InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H

InChIKey

KVGZZAHHUNAVKZ-UHFFFAOYSA-N

Compound name

1,4-dioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 54
References: 84960
Patents: 84.021126 Da
Monoisotopic Mass: 0.2
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]+	85.028402	108.9
[M+Na]+	107.01034	116.6
[M-H]-	83.013850	113.9
[M+NH4]+	102.05495	129.9
[M+K]+	122.98428	119.3
[M+H-H2O]+	67.018386	104.1
[M+HCOO]-	129.01933	132.4
[M+CH3COO]-	143.03498	159.5
[M+Na-2H]-	104.99579	121.7
[M]+	84.020577	109.4
[M]-	84.021675	109.4

Literature stripe

literature stripe

Patent stripe

patents stripe