CID 86538

(1-methylhexane-1,3,5-triyl)trisbenzene

Structural Information

Molecular Formula
C24H26
SMILES
CC(CC(CCC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H26/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,20,24H,17-19H2,1H3
InChIKey
SLSYKXXGNBFGEK-UHFFFAOYSA-N
Compound name
4,6-diphenylhexan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

314.20346 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.210736 179.9
[M+Na]+ 337.192678 182.8
[M-H]- 313.196184 187.8
[M+NH4]+ 332.237283 193.0
[M+K]+ 353.166618 176.7
[M+H-H2O]+ 297.200720 170.1
[M+HCOO]- 359.201661 200.0
[M+CH3COO]- 373.217311 189.3
[M+Na-2H]- 335.178126 182.4
[M]+ 314.20291142 178.2
[M]- 314.20400858 178.2
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