CID 3059807

1,9-decadiyne-3,8-dione, 1,10-diphenyl-

Structural Information

Molecular Formula
C22H18O2
SMILES
C1=CC=C(C=C1)C#CC(=O)CCCCC(=O)C#CC2=CC=CC=C2
InChI
InChI=1S/C22H18O2/c23-21(17-15-19-9-3-1-4-10-19)13-7-8-14-22(24)18-16-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-14H2
InChIKey
OFGNNYDXIIIPLT-UHFFFAOYSA-N
Compound name
1,10-diphenyldeca-1,9-diyne-3,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13068 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13796 187.8
[M+Na]+ 337.11990 196.8
[M-H]- 313.12340 189.9
[M+NH4]+ 332.16450 196.5
[M+K]+ 353.09384 187.3
[M+H-H2O]+ 297.12794 171.7
[M+HCOO]- 359.12888 195.3
[M+CH3COO]- 373.14453 222.8
[M+Na-2H]- 335.10535 185.5
[M]+ 314.13013 179.0
[M]- 314.13123 179.0
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.