CID 43143865

859968-65-3

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
C1OC2=C(O1)C(=CC(=C2)CBr)Br
InChI
InChI=1S/C8H6Br2O2/c9-3-5-1-6(10)8-7(2-5)11-4-12-8/h1-2H,3-4H2
InChIKey
DDASRZHCCCVBJJ-UHFFFAOYSA-N
Compound name
4-bromo-6-(bromomethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 145.0
[M+Na]+ 314.86266 156.8
[M-H]- 290.86616 153.7
[M+NH4]+ 309.90726 164.8
[M+K]+ 330.83660 144.5
[M+H-H2O]+ 274.87070 154.2
[M+HCOO]- 336.87164 160.1
[M+CH3COO]- 350.88729 159.9
[M+Na-2H]- 312.84811 153.2
[M]+ 291.87289 180.8
[M]- 291.87399 180.8
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

patents stripe