CID 236047

1,4-dibenzylbenzene

Structural Information

Molecular Formula
C20H18
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H18/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
LTGXPINWZFIICV-UHFFFAOYSA-N
Compound name
1,4-dibenzylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

258.14084 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14812 161.0
[M+Na]+ 281.13006 167.3
[M-H]- 257.13356 170.0
[M+NH4]+ 276.17466 177.0
[M+K]+ 297.10400 161.2
[M+H-H2O]+ 241.13810 152.0
[M+HCOO]- 303.13904 184.6
[M+CH3COO]- 317.15469 172.9
[M+Na-2H]- 279.11551 167.5
[M]+ 258.14029 159.6
[M]- 258.14139 159.6
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