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]+ 244.98079 143.6
[M+Na]+ 266.96273 155.0
[M-H]- 242.96623 152.0
[M+NH4]+ 262.00733 163.4
[M+K]+ 282.93667 147.8
[M+H-H2O]+ 226.97077 143.9
[M+HCOO]- 288.97171 161.6
[M+CH3COO]- 302.98736 188.1
[M+Na-2H]- 264.94818 153.9
[M]+ 243.97296 164.2
[M]- 243.97406 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.