CID 95336

2,6-bis(benzylidene)cyclohexanone

Structural Information

Molecular Formula
C20H18O
SMILES
C1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1
InChI
InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2
InChIKey
CTKKGXDAWIAYSA-UHFFFAOYSA-N
Compound name
2,6-dibenzylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

114
Patents

274.13577 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 165.1
[M+Na]+ 297.12499 170.3
[M-H]- 273.12849 173.7
[M+NH4]+ 292.16959 180.5
[M+K]+ 313.09893 163.7
[M+H-H2O]+ 257.13303 156.3
[M+HCOO]- 319.13397 185.3
[M+CH3COO]- 333.14962 175.9
[M+Na-2H]- 295.11044 167.9
[M]+ 274.13522 159.1
[M]- 274.13632 159.1
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.