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 203.8
[M+Na]+ 417.31280 206.4
[M-H]- 393.31630 209.0
[M+NH4]+ 412.35740 215.3
[M+K]+ 433.28674 202.1
[M+H-H2O]+ 377.32084 195.5
[M+HCOO]- 439.32178 218.4
[M+CH3COO]- 453.33743 230.5
[M+Na-2H]- 415.29825 202.4
[M]+ 394.32303 207.9
[M]- 394.32413 207.9
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.