CID 5377501

1,8-diphenylocta-1,3,5,7-tetraene

Structural Information

Molecular Formula
C20H18
SMILES
C1=CC=C(C=C1)/C=C/C=C/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h1-18H/b3-1+,4-2+,13-7+,14-8+
InChIKey
ZENGMMQJMCPHTK-FPPPDJHPSA-N
Compound name
[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

258.14084 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14812 163.1
[M+Na]+ 281.13006 168.7
[M-H]- 257.13356 168.5
[M+NH4]+ 276.17466 179.5
[M+K]+ 297.10400 160.9
[M+H-H2O]+ 241.13810 155.1
[M+HCOO]- 303.13904 186.3
[M+CH3COO]- 317.15469 194.4
[M+Na-2H]- 279.11551 167.9
[M]+ 258.14029 161.1
[M]- 258.14139 161.1
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