CID 107314

5,5-dichlorobicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C7H8Cl2
SMILES
C1C2CC(C1C=C2)(Cl)Cl
InChI
InChI=1S/C7H8Cl2/c8-7(9)4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2
InChIKey
LZAIJFHJQZYVLF-UHFFFAOYSA-N
Compound name
5,5-dichlorobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

485
Patents

162.0003 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00758 134.8
[M+Na]+ 184.98952 145.8
[M-H]- 160.99302 137.4
[M+NH4]+ 180.03412 163.8
[M+K]+ 200.96346 140.3
[M+H-H2O]+ 144.99756 132.4
[M+HCOO]- 206.99850 148.3
[M+CH3COO]- 221.01415 149.1
[M+Na-2H]- 182.97497 139.8
[M]+ 161.99975 136.3
[M]- 162.00085 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe