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

27
Patents

142.05493 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06221 128.8
[M+Na]+ 165.04415 137.1
[M-H]- 141.04765 131.4
[M+NH4]+ 160.08875 154.8
[M+K]+ 181.01809 133.3
[M+H-H2O]+ 125.05219 125.2
[M+HCOO]- 187.05313 145.2
[M+CH3COO]- 201.06878 142.8
[M+Na-2H]- 163.02960 134.9
[M]+ 142.05438 127.7
[M]- 142.05548 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