CID 86813

Einecs 242-724-1

Structural Information

Molecular Formula
C20H16Cl2O
SMILES
C1CC(=CC2=CC=CC=C2Cl)C(=O)C(=CC3=CC=CC=C3Cl)C1
InChI
InChI=1S/C20H16Cl2O/c21-18-10-3-1-6-14(18)12-16-8-5-9-17(20(16)23)13-15-7-2-4-11-19(15)22/h1-4,6-7,10-13H,5,8-9H2
InChIKey
QLOHWWSWUAXAGS-UHFFFAOYSA-N
Compound name
2,6-bis[(2-chlorophenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
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 178.7
[M+Na]+ 365.04705 196.1
[M+NH4]+ 360.09165 188.3
[M+K]+ 381.02099 184.5
[M-H]- 341.05055 185.6
[M+Na-2H]- 363.03250 188.5
[M]+ 342.05728 184.0
[M]- 342.05838 184.0
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