CID 57350169

Dichloro-norbornadiene-ruthenium(ii)

Structural Information

Molecular Formula
C7H6Cl2
SMILES
C1CC2=C(C(=C1C2)Cl)Cl
InChI
InChI=1S/C7H6Cl2/c8-6-4-1-2-5(3-4)7(6)9/h1-3H2
InChIKey
DWKJRODSUYNCRZ-UHFFFAOYSA-N
Compound name
2,3-dichlorobicyclo[2.2.1]hepta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

372
Patents

159.98465 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99193 133.6
[M+Na]+ 182.97387 145.6
[M-H]- 158.97737 136.6
[M+NH4]+ 178.01847 161.1
[M+K]+ 198.94781 140.2
[M+H-H2O]+ 142.98191 131.1
[M+HCOO]- 204.98285 148.5
[M+CH3COO]- 218.99850 148.4
[M+Na-2H]- 180.95932 137.9
[M]+ 159.98410 136.8
[M]- 159.98520 136.8
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