CID 11930

1,3,5-triphenylbenzene

Structural Information

Molecular Formula
C24H18
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H
InChIKey
SXWIAEOZZQADEY-UHFFFAOYSA-N
Compound name
1,3,5-triphenylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

3517
Patents

306.14084 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14812 174.5
[M+Na]+ 329.13006 181.2
[M-H]- 305.13356 186.5
[M+NH4]+ 324.17466 188.0
[M+K]+ 345.10400 173.7
[M+H-H2O]+ 289.13810 164.0
[M+HCOO]- 351.13904 197.6
[M+CH3COO]- 365.15469 185.7
[M+Na-2H]- 327.11551 180.2
[M]+ 306.14029 171.9
[M]- 306.14139 171.9
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