CID 6152775

1,10-diphenyl-1,3,7,9-decatetraene-5,6-dione

Structural Information

Molecular Formula
C22H18O2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C22H18O2/c23-21(17-9-7-15-19-11-3-1-4-12-19)22(24)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+
InChIKey
KRSCDLWSPVQHBY-FVRNMFRHSA-N
Compound name
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137956 177.4
[M+Na]+ 337.119898 181.9
[M-H]- 313.123404 182.6
[M+NH4]+ 332.164503 191.0
[M+K]+ 353.093838 174.5
[M+H-H2O]+ 297.127940 168.9
[M+HCOO]- 359.128881 198.7
[M+CH3COO]- 373.144531 204.2
[M+Na-2H]- 335.105346 178.7
[M]+ 314.13013142 176.3
[M]- 314.13122858 176.3
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