CID 18175807

Chloro(1,5-cyclooctadiene)methylpalladium(ii)

Structural Information

Molecular Formula
C8H11Cl
SMILES
C/1C/C=C(\CC/C=C1)/Cl
InChI
InChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h1-2,7H,3-6H2/b2-1-,8-7+
InChIKey
PHQVPLFRGMMSCP-CDTWYVJESA-N
Compound name
(1E,5Z)-1-chlorocycloocta-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

142.05493 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06221 140.0
[M+Na]+ 165.04415 145.2
[M-H]- 141.04765 141.8
[M+NH4]+ 160.08875 150.2
[M+K]+ 181.01809 144.9
[M+H-H2O]+ 125.05219 137.2
[M+HCOO]- 187.05313 148.4
[M+CH3COO]- 201.06878 217.6
[M+Na-2H]- 163.02960 141.7
[M]+ 142.05438 139.5
[M]- 142.05548 139.5
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