CID 4248146

4,4''-dimethyl-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C20H18
SMILES
CC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H18/c1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKey
IJSRIMSZPSHKCB-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

135
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 160.5
[M+Na]+ 281.13006 168.7
[M-H]- 257.13356 170.4
[M+NH4]+ 276.17466 177.2
[M+K]+ 297.10400 162.8
[M+H-H2O]+ 241.13810 151.9
[M+HCOO]- 303.13904 184.1
[M+CH3COO]- 317.15469 173.2
[M+Na-2H]- 279.11551 165.6
[M]+ 258.14029 160.0
[M]- 258.14139 160.0
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