CID 23128472

1-(chloromethyl)bicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C8H11Cl
SMILES
C1CC2(CC1C=C2)CCl
InChI
InChI=1S/C8H11Cl/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6H2
InChIKey
JFMXMDVWTVJDGK-UHFFFAOYSA-N
Compound name
1-(chloromethyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

142.05493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.062206 132.1
[M+Na]+ 165.044148 141.4
[M-H]- 141.047654 135.0
[M+NH4]+ 160.088753 161.4
[M+K]+ 181.018088 137.4
[M+H-H2O]+ 125.052190 128.8
[M+HCOO]- 187.053131 150.5
[M+CH3COO]- 201.068781 146.6
[M+Na-2H]- 163.029596 138.1
[M]+ 142.05438142 132.8
[M]- 142.05547858 132.8
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