CID 6477158

Nsc690737

Structural Information

Molecular Formula
C21H18Cl2O
SMILES
CC\1CC/C(=C/C2=CC=C(C=C2)Cl)/C(=O)/C1=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18Cl2O/c1-14-2-7-17(12-15-3-8-18(22)9-4-15)21(24)20(14)13-16-5-10-19(23)11-6-16/h3-6,8-14H,2,7H2,1H3/b17-12-,20-13+
InChIKey
OMLHTHDNMOEJMF-XYGMCREWSA-N
Compound name
(2E,6Z)-2,6-bis[(4-chlorophenyl)methylidene]-3-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.07346 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08074 183.8
[M+Na]+ 379.06268 192.5
[M-H]- 355.06618 192.1
[M+NH4]+ 374.10728 198.1
[M+K]+ 395.03662 183.0
[M+H-H2O]+ 339.07072 176.3
[M+HCOO]- 401.07166 193.9
[M+CH3COO]- 415.08731 193.8
[M+Na-2H]- 377.04813 182.4
[M]+ 356.07291 183.2
[M]- 356.07401 183.2
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.