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

261
Patents

213.96294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 136.3
[M+Na]+ 236.95216 147.4
[M-H]- 212.95566 144.5
[M+NH4]+ 231.99676 157.0
[M+K]+ 252.92610 140.0
[M+H-H2O]+ 196.96020 137.0
[M+HCOO]- 258.96114 154.5
[M+CH3COO]- 272.97679 152.0
[M+Na-2H]- 234.93761 147.8
[M]+ 213.96239 154.9
[M]- 213.96349 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