CID 11185504

1,2,4-triphenyl-1,3-cyclopentadiene

Structural Information

Molecular Formula
C23H18
SMILES
C1C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H18/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)23(17-21)20-14-8-3-9-15-20/h1-16H,17H2
InChIKey
SCQHIRLGCKARRE-UHFFFAOYSA-N
Compound name
(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

294.14084 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14812 170.6
[M+Na]+ 317.13006 177.9
[M-H]- 293.13356 183.3
[M+NH4]+ 312.17466 186.8
[M+K]+ 333.10400 170.7
[M+H-H2O]+ 277.13810 161.3
[M+HCOO]- 339.13904 195.2
[M+CH3COO]- 353.15469 182.7
[M+Na-2H]- 315.11551 174.0
[M]+ 294.14029 168.9
[M]- 294.14139 168.9
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