CID 6435427

1,5-dichloro-1,4-cyclooctadiene

Structural Information

Molecular Formula
C8H10Cl2
SMILES
C1C/C(=C\C/C=C(\C1)/Cl)/Cl
InChI
InChI=1S/C8H10Cl2/c9-7-3-1-4-8(10)6-2-5-7/h3-4H,1-2,5-6H2/b7-3+,8-4+
InChIKey
FCDHOJRNGZDSLX-FCXRPNKRSA-N
Compound name
(1E,4E)-1,5-dichlorocycloocta-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.01596 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02324 138.3
[M+Na]+ 199.00518 143.0
[M+NH4]+ 194.04978 141.8
[M+K]+ 214.97912 141.8
[M-H]- 175.00868 139.4
[M+Na-2H]- 196.99063 142.4
[M]+ 176.01541 139.4
[M]- 176.01651 139.4
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

No patent data available for this compound.