CID 2754502

6,7-dibromobenzo(1,4)dioxan

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
C1COC2=CC(=C(C=C2O1)Br)Br
InChI
InChI=1S/C8H6Br2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2
InChIKey
FTSJTAIEXFMURW-UHFFFAOYSA-N
Compound name
6,7-dibromo-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

291.87344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.88072 140.6
[M+Na]+ 314.86266 151.2
[M-H]- 290.86616 149.0
[M+NH4]+ 309.90726 158.8
[M+K]+ 330.83660 139.1
[M+H-H2O]+ 274.87070 149.3
[M+HCOO]- 336.87164 154.0
[M+CH3COO]- 350.88729 155.1
[M+Na-2H]- 312.84811 150.3
[M]+ 291.87289 174.9
[M]- 291.87399 174.9
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