CID 66867

Benzene, 1,1'-oxybis(4-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C28H42O
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3
InChIKey
AJDONJVWDSZZQF-UHFFFAOYSA-N
Compound name
1-(2,4,4-trimethylpentan-2-yl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

2693
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 201.1
[M+Na]+ 417.31280 205.3
[M-H]- 393.31630 207.0
[M+NH4]+ 412.35740 213.1
[M+K]+ 433.28674 201.4
[M+H-H2O]+ 377.32084 193.8
[M+HCOO]- 439.32178 214.6
[M+CH3COO]- 453.33743 228.8
[M+Na-2H]- 415.29825 204.6
[M]+ 394.32303 205.2
[M]- 394.32413 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe