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

149
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

No literature data available for this compound.

Patent stripe

patents stripe