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]+ 315.13796 177.4
[M+Na]+ 337.11990 181.9
[M-H]- 313.12340 182.6
[M+NH4]+ 332.16450 191.0
[M+K]+ 353.09384 174.5
[M+H-H2O]+ 297.12794 168.9
[M+HCOO]- 359.12888 198.7
[M+CH3COO]- 373.14453 204.2
[M+Na-2H]- 335.10535 178.7
[M]+ 314.13013 176.3
[M]- 314.13123 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