CID 6075354

1,2,4-triphenyl-2-butene-1,4-dione

Structural Information

Molecular Formula
C22H16O2
SMILES
C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H/b20-16+
InChIKey
MEBZZSFHCRISAQ-CAPFRKAQSA-N
Compound name
(E)-1,2,4-triphenylbut-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11502 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.122296 174.8
[M+Na]+ 335.104238 179.0
[M-H]- 311.107744 183.5
[M+NH4]+ 330.148843 187.6
[M+K]+ 351.078178 173.5
[M+H-H2O]+ 295.112280 165.4
[M+HCOO]- 357.113221 195.6
[M+CH3COO]- 371.128871 205.6
[M+Na-2H]- 333.089686 177.3
[M]+ 312.11447142 172.5
[M]- 312.11556858 172.5
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.