CID 3454836

1-tert-butyl-3,5-diphenylbenzene

Structural Information

Molecular Formula
C22H22
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22/c1-22(2,3)21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKey
IZRHKQPUZVPUBW-UHFFFAOYSA-N
Compound name
1-tert-butyl-3,5-diphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

286.17215 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17943 172.2
[M+Na]+ 309.16137 190.0
[M+NH4]+ 304.20597 182.6
[M+K]+ 325.13531 179.4
[M-H]- 285.16487 180.5
[M+Na-2H]- 307.14682 185.5
[M]+ 286.17160 177.7
[M]- 286.17270 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe