CID 1556706

301312-59-4

Structural Information

Molecular Formula
C28H18Cl4O3
SMILES
C1C/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)/C(=C/C4=CC=C(O4)C5=CC(=C(C=C5)Cl)Cl)/C1
InChI
InChI=1S/C28H18Cl4O3/c29-22-8-4-16(14-24(22)31)26-10-6-20(34-26)12-18-2-1-3-19(28(18)33)13-21-7-11-27(35-21)17-5-9-23(30)25(32)15-17/h4-15H,1-3H2/b18-12+,19-13+
InChIKey
ZXWJBKIYJFFFLH-KLCVKJMQSA-N
Compound name
(2E,6E)-2,6-bis[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.001 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.00828 226.5
[M+Na]+ 564.99022 244.9
[M+NH4]+ 560.03482 234.2
[M+K]+ 580.96416 235.9
[M-H]- 540.99372 236.6
[M+Na-2H]- 562.97567 234.1
[M]+ 542.00045 233.4
[M]- 542.00155 233.4
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

No patent data available for this compound.