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 170.0
[M+Na]+ 309.16137 176.9
[M-H]- 285.16487 179.5
[M+NH4]+ 304.20597 185.5
[M+K]+ 325.13531 171.0
[M+H-H2O]+ 269.16941 161.4
[M+HCOO]- 331.17035 191.3
[M+CH3COO]- 345.18600 181.7
[M+Na-2H]- 307.14682 175.3
[M]+ 286.17160 169.3
[M]- 286.17270 169.3
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