CID 22177487

2,5-dichloro-3,4-ethylenedioxythiophene

Structural Information

Molecular Formula
C6H4Cl2O2S
SMILES
C1COC2=C(SC(=C2O1)Cl)Cl
InChI
InChI=1S/C6H4Cl2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKey
UOJXEABHQWNIKN-UHFFFAOYSA-N
Compound name
5,7-dichloro-2,3-dihydrothieno[3,4-b][1,4]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

209.93091 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.93819 136.7
[M+Na]+ 232.92013 147.9
[M-H]- 208.92363 142.8
[M+NH4]+ 227.96473 158.1
[M+K]+ 248.89407 146.0
[M+H-H2O]+ 192.92817 134.7
[M+HCOO]- 254.92911 144.0
[M+CH3COO]- 268.94476 151.0
[M+Na-2H]- 230.90558 141.1
[M]+ 209.93036 142.0
[M]- 209.93146 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.