CID 154814375

(1r,5r,6r)-5-bromobicyclo[4.2.1]nona-2,7-diene

Structural Information

Molecular Formula
C9H11Br
SMILES
C1C=C[C@H]2C[C@@H]([C@@H]1Br)C=C2
InChI
InChI=1S/C9H11Br/c10-9-3-1-2-7-4-5-8(9)6-7/h1-2,4-5,7-9H,3,6H2/t7-,8+,9-/m1/s1
InChIKey
NOXASCZUCMNKET-HRDYMLBCSA-N
Compound name
(1R,5R,6R)-5-bromobicyclo[4.2.1]nona-2,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.00441 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01169 137.0
[M+Na]+ 220.99363 146.8
[M-H]- 196.99713 143.8
[M+NH4]+ 216.03823 161.7
[M+K]+ 236.96757 139.3
[M+H-H2O]+ 181.00167 139.4
[M+HCOO]- 243.00261 156.2
[M+CH3COO]- 257.01826 151.9
[M+Na-2H]- 218.97908 144.3
[M]+ 198.00386 150.5
[M]- 198.00496 150.5
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.