CID 82050876

1216307-76-4

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1COC2=C(O1)C=C(C(=C2)Br)O
InChI
InChI=1S/C8H7BrO3/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4,10H,1-2H2
InChIKey
QUUPGOJJLXJPRA-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1,4-benzodioxin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

229.95786 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 139.8
[M+Na]+ 252.947078 151.1
[M-H]- 228.950584 147.0
[M+NH4]+ 247.991683 159.4
[M+K]+ 268.921018 143.2
[M+H-H2O]+ 212.955120 140.4
[M+HCOO]- 274.956061 156.6
[M+CH3COO]- 288.971711 183.0
[M+Na-2H]- 250.932526 150.1
[M]+ 229.95731142 158.3
[M]- 229.95840858 158.3
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