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 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

No literature data available for this compound.

Patent stripe

patents stripe