CID 165643292

1070795-35-5

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=CC(=CC2=C1OCCO2)Br
InChI
InChI=1S/C9H9BrO3/c1-11-7-4-6(10)5-8-9(7)13-3-2-12-8/h4-5H,2-3H2,1H3
InChIKey
SBDSRWBPBIBWBM-UHFFFAOYSA-N
Compound name
7-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.97351 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 143.6
[M+Na]+ 266.962728 155.0
[M-H]- 242.966234 152.0
[M+NH4]+ 262.007333 163.4
[M+K]+ 282.936668 147.8
[M+H-H2O]+ 226.970770 143.9
[M+HCOO]- 288.971711 161.6
[M+CH3COO]- 302.987361 188.1
[M+Na-2H]- 264.948176 153.9
[M]+ 243.97296142 164.2
[M]- 243.97405858 164.2
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.