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]+ 199.011686 137.0
[M+Na]+ 220.993628 146.8
[M-H]- 196.997134 143.8
[M+NH4]+ 216.038233 161.7
[M+K]+ 236.967568 139.3
[M+H-H2O]+ 181.001670 139.4
[M+HCOO]- 243.002611 156.2
[M+CH3COO]- 257.018261 151.9
[M+Na-2H]- 218.979076 144.3
[M]+ 198.00386142 150.5
[M]- 198.00495858 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.