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]+ 216.98587 147.1
[M+Na]+ 238.96781 159.9
[M-H]- 214.97131 155.2
[M+NH4]+ 234.01241 174.4
[M+K]+ 254.94175 152.7
[M+H-H2O]+ 198.97585 150.9
[M+HCOO]- 260.97679 165.6
[M+CH3COO]- 274.99244 163.2
[M+Na-2H]- 236.95326 152.6
[M]+ 215.97804 166.9
[M]- 215.97914 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.