CID 1551632

2,6-bis(2,4-dichlorobenzylidene)cyclohexanone

Structural Information

Molecular Formula
C20H14Cl4O
SMILES
C1C/C(=C\C2=C(C=C(C=C2)Cl)Cl)/C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/C1
InChI
InChI=1S/C20H14Cl4O/c21-16-6-4-12(18(23)10-16)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)11-19(13)24/h4-11H,1-3H2/b14-8+,15-9+
InChIKey
KZJYHNUZXHLSFI-VOMDNODZSA-N
Compound name
(2E,6E)-2,6-bis[(2,4-dichlorophenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.9799 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.98718 192.0
[M+Na]+ 432.96912 201.3
[M-H]- 408.97262 197.2
[M+NH4]+ 428.01372 204.1
[M+K]+ 448.94306 191.9
[M+H-H2O]+ 392.97716 185.7
[M+HCOO]- 454.97810 191.4
[M+CH3COO]- 468.99375 199.9
[M+Na-2H]- 430.95457 188.1
[M]+ 409.97935 191.4
[M]- 409.98045 191.4
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

No patent data available for this compound.