CID 22598134

61702-88-3

Structural Information

Molecular Formula
C28H42O
SMILES
CC(C)(C)CC(C)(C)C1=CC=CC=C1OC2=CC=CC=C2C(C)(C)CC(C)(C)C
InChI
InChI=1S/C28H42O/c1-25(2,3)19-27(7,8)21-15-11-13-17-23(21)29-24-18-14-12-16-22(24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3
InChIKey
FSFVPNRYRFVFEI-UHFFFAOYSA-N
Compound name
1-(2,4,4-trimethylpentan-2-yl)-2-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

394.32358 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33086 206.4
[M+Na]+ 417.31280 218.2
[M+NH4]+ 412.35740 213.2
[M+K]+ 433.28674 211.3
[M-H]- 393.31630 209.1
[M+Na-2H]- 415.29825 213.4
[M]+ 394.32303 209.4
[M]- 394.32413 209.4
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