CID 104141

6-bromo-1,4-benzodioxane

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1COC2=C(O1)C=CC(=C2)Br
InChI
InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChIKey
LFCURAJBHDNUNG-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

597
Patents

213.96294 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 132.9
[M+Na]+ 236.95216 137.7
[M+NH4]+ 231.99676 139.2
[M+K]+ 252.92610 137.8
[M-H]- 212.95566 136.8
[M+Na-2H]- 234.93761 136.5
[M]+ 213.96239 133.7
[M]- 213.96349 133.7
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