CID 256405

1,4-bis(4-phenyl-1,3-butadienyl)benzene

Structural Information

Molecular Formula
C26H22
SMILES
C1=CC=C(C=C1)C=CC=CC2=CC=C(C=C2)C=CC=CC3=CC=CC=C3
InChI
InChI=1S/C26H22/c1-3-11-23(12-4-1)15-7-9-17-25-19-21-26(22-20-25)18-10-8-16-24-13-5-2-6-14-24/h1-22H
InChIKey
RDXVBJMYWDYESH-UHFFFAOYSA-N
Compound name
1,4-bis(4-phenylbuta-1,3-dienyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

334.17215 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17943 185.0
[M+Na]+ 357.16137 190.1
[M-H]- 333.16487 193.1
[M+NH4]+ 352.20597 197.8
[M+K]+ 373.13531 180.2
[M+H-H2O]+ 317.16941 175.0
[M+HCOO]- 379.17035 207.3
[M+CH3COO]- 393.18600 209.4
[M+Na-2H]- 355.14682 188.0
[M]+ 334.17160 182.5
[M]- 334.17270 182.5
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

patents stripe