CID 5369696

2-butene-1,4-dione, 1,2,4-triphenyl-, (z)-

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-SILNSSARSA-N
Compound name
(Z)-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]+ 313.12230 174.8
[M+Na]+ 335.10424 179.0
[M-H]- 311.10774 183.5
[M+NH4]+ 330.14884 187.6
[M+K]+ 351.07818 173.5
[M+H-H2O]+ 295.11228 165.4
[M+HCOO]- 357.11322 195.6
[M+CH3COO]- 371.12887 205.6
[M+Na-2H]- 333.08969 177.3
[M]+ 312.11447 172.5
[M]- 312.11557 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

literature stripe

Patent stripe

No patent data available for this compound.