CID 18787268

58328-39-5

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1COC2=C(O1)C=CC=C2Br
InChI
InChI=1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
InChIKey
NGOZRIZXELGVHK-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

213.96294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.970216 136.3
[M+Na]+ 236.952158 147.4
[M-H]- 212.955664 144.5
[M+NH4]+ 231.996763 157.0
[M+K]+ 252.926098 140.0
[M+H-H2O]+ 196.960200 137.0
[M+HCOO]- 258.961141 154.5
[M+CH3COO]- 272.976791 152.0
[M+Na-2H]- 234.937606 147.8
[M]+ 213.96239142 154.9
[M]- 213.96348858 154.9
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