CID 520720

3-chlorobicyclo[3.2.1]oct-2-ene

Structural Information

Molecular Formula
C8H11Cl
SMILES
C1CC2CC1CC(=C2)Cl
InChI
InChI=1S/C8H11Cl/c9-8-4-6-1-2-7(3-6)5-8/h4,6-7H,1-3,5H2
InChIKey
XLVAWKKCOIWHBT-UHFFFAOYSA-N
Compound name
3-chlorobicyclo[3.2.1]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

142.05493 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.062206 128.8
[M+Na]+ 165.044148 137.1
[M-H]- 141.047654 131.4
[M+NH4]+ 160.088753 154.8
[M+K]+ 181.018088 133.3
[M+H-H2O]+ 125.052190 125.2
[M+HCOO]- 187.053131 145.2
[M+CH3COO]- 201.068781 142.8
[M+Na-2H]- 163.029596 134.9
[M]+ 142.05438142 127.7
[M]- 142.05547858 127.7
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

patents stripe