CID 7246

2,3-dichloro-1,4-dioxane

Structural Information

Molecular Formula

C₄H₆Cl₂O₂

SMILES

C1COC(C(O1)Cl)Cl

InChI

InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2

InChIKey

ZOZUXFQYIYUIND-UHFFFAOYSA-N

Compound name

2,3-dichloro-1,4-dioxane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 112
Patents: 155.97449 Da
Monoisotopic Mass: 1.2
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]+	156.98177	124.0
[M+Na]+	178.96371	137.6
[M+NH4]+	174.00831	133.7
[M+K]+	194.93765	131.6
[M-H]-	154.96721	128.4
[M+Na-2H]-	176.94916	129.5
[M]+	155.97394	127.8
[M]-	155.97504	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe