CID 3834570

5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine

Structural Information

Molecular Formula
C6H4Br2O2S
SMILES
C1COC2=C(SC(=C2O1)Br)Br
InChI
InChI=1S/C6H4Br2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKey
FHMRWRBNAIDRAP-UHFFFAOYSA-N
Compound name
5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

276
Patents

297.8299 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.83718 137.1
[M+Na]+ 320.81912 132.0
[M+NH4]+ 315.86372 140.0
[M+K]+ 336.79306 139.3
[M-H]- 296.82262 139.4
[M+Na-2H]- 318.80457 137.7
[M]+ 297.82935 136.2
[M]- 297.83045 136.2
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