CID 11096040

Rac-(1r,2s,6r,7r)-8-bromo-3,5-dioxatricyclo[5.2.1.0,2,6]dec-8-ene

Structural Information

Molecular Formula
C8H9BrO2
SMILES
C1[C@H]2C=C([C@@H]1[C@H]3[C@@H]2OCO3)Br
InChI
InChI=1S/C8H9BrO2/c9-6-2-4-1-5(6)8-7(4)10-3-11-8/h2,4-5,7-8H,1,3H2/t4-,5+,7+,8-/m0/s1
InChIKey
YNLUSIIBBYYCTI-LAHCRNKXSA-N
Compound name
(1S,2R,6S,7S)-8-bromo-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.985866 147.1
[M+Na]+ 238.967808 159.9
[M-H]- 214.971314 155.2
[M+NH4]+ 234.012413 174.4
[M+K]+ 254.941748 152.7
[M+H-H2O]+ 198.975850 150.9
[M+HCOO]- 260.976791 165.6
[M+CH3COO]- 274.992441 163.2
[M+Na-2H]- 236.953256 152.6
[M]+ 215.97804142 166.9
[M]- 215.97913858 166.9
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

No patent data available for this compound.