CID 5377766

1,2,3,4-tetraphenyl-1,3-butadiene

Structural Information

Molecular Formula
C28H22
SMILES
C1=CC=C(C=C1)/C=C(/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)\C4=CC=CC=C4
InChI
InChI=1S/C28H22/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-22H/b27-21+,28-22+
InChIKey
DAABVBOFAIYKNX-GPAWKIAZSA-N
Compound name
[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

358.17215 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17943 191.1
[M+Na]+ 381.16137 194.0
[M-H]- 357.16487 201.6
[M+NH4]+ 376.20597 201.4
[M+K]+ 397.13531 185.4
[M+H-H2O]+ 341.16941 179.8
[M+HCOO]- 403.17035 211.0
[M+CH3COO]- 417.18600 199.5
[M+Na-2H]- 379.14682 193.6
[M]+ 358.17160 186.1
[M]- 358.17270 186.1
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

patents stripe