CID 138395950

Benzene, 1,1'-oxybis[(2,2,4-trimethylpentyl)-

Structural Information

Molecular Formula
C28H42O
SMILES
CC(C)CC(C)(C)CC1=CC=CC=C1OC2=CC=CC=C2CC(C)(C)CC(C)C
InChI
InChI=1S/C28H42O/c1-21(2)17-27(5,6)19-23-13-9-11-15-25(23)29-26-16-12-10-14-24(26)20-28(7,8)18-22(3)4/h9-16,21-22H,17-20H2,1-8H3
InChIKey
DRCODWYUICCNBS-UHFFFAOYSA-N
Compound name
1-(2,2,4-trimethylpentyl)-2-[2-(2,2,4-trimethylpentyl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.32358 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33086 205.9
[M+Na]+ 417.31280 217.9
[M+NH4]+ 412.35740 213.0
[M+K]+ 433.28674 209.9
[M-H]- 393.31630 209.5
[M+Na-2H]- 415.29825 212.4
[M]+ 394.32303 209.0
[M]- 394.32413 209.0
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

No patent data available for this compound.