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
4
Annotation Hits

0
References

112
Patents

155.97449 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98177 125.6
[M+Na]+ 178.96371 133.8
[M-H]- 154.96721 129.5
[M+NH4]+ 174.00831 145.1
[M+K]+ 194.93765 133.3
[M+H-H2O]+ 138.97175 122.4
[M+HCOO]- 200.97269 136.2
[M+CH3COO]- 214.98834 171.4
[M+Na-2H]- 176.94916 133.4
[M]+ 155.97394 126.5
[M]- 155.97504 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe