CID 11130932

Rac-(1r,2s,6r,7r)-4,7-dibromotricyclo[5.2.1.0,2,6]deca-4,8-diene-3,10-dione

Structural Information

Molecular Formula
C10H6Br2O2
SMILES
C1=C[C@@]2([C@@H]3C=C(C(=O)[C@@H]3[C@H]1C2=O)Br)Br
InChI
InChI=1S/C10H6Br2O2/c11-6-3-5-7(8(6)13)4-1-2-10(5,12)9(4)14/h1-5,7H/t4-,5+,7+,10-/m0/s1
InChIKey
QPIIZGUQJCFMDJ-IGMRMVRISA-N
Compound name
(1S,2R,6S,7S)-4,7-dibromotricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.87344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.88072 157.0
[M+Na]+ 338.86266 171.4
[M-H]- 314.86616 165.4
[M+NH4]+ 333.90726 183.6
[M+K]+ 354.83660 157.0
[M+H-H2O]+ 298.87070 167.9
[M+HCOO]- 360.87164 173.3
[M+CH3COO]- 374.88729 172.2
[M+Na-2H]- 336.84811 161.2
[M]+ 315.87289 192.1
[M]- 315.87399 192.1
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.