CID 4322027

Cyclohexanone, 2,6-bis[(3-chlorophenyl)methylene]-

Structural Information

Molecular Formula
C20H16Cl2O
SMILES
C1CC(=CC2=CC(=CC=C2)Cl)C(=O)C(=CC3=CC(=CC=C3)Cl)C1
InChI
InChI=1S/C20H16Cl2O/c21-18-8-1-4-14(12-18)10-16-6-3-7-17(20(16)23)11-15-5-2-9-19(22)13-15/h1-2,4-5,8-13H,3,6-7H2
InChIKey
YLYVKSBWJVLOJI-UHFFFAOYSA-N
Compound name
2,6-bis[(3-chlorophenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.05783 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06511 179.7
[M+Na]+ 365.04705 188.0
[M-H]- 341.05055 187.8
[M+NH4]+ 360.09165 194.3
[M+K]+ 381.02099 178.6
[M+H-H2O]+ 325.05509 172.2
[M+HCOO]- 387.05603 190.2
[M+CH3COO]- 401.07168 189.9
[M+Na-2H]- 363.03250 179.5
[M]+ 342.05728 178.4
[M]- 342.05838 178.4
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