CID 110332

Palmitylphenoxybenzene

Structural Information

Molecular Formula
C28H42O
SMILES
CCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C28H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-26-22-24-28(25-23-26)29-27-20-17-15-18-21-27/h15,17-18,20-25H,2-14,16,19H2,1H3
InChIKey
WXHGASSSHSIGJY-UHFFFAOYSA-N
Compound name
1-hexadecyl-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.32358 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33086 207.9
[M+Na]+ 417.31280 220.9
[M+NH4]+ 412.35740 215.6
[M+K]+ 433.28674 208.4
[M-H]- 393.31630 213.0
[M+Na-2H]- 415.29825 215.1
[M]+ 394.32303 211.4
[M]- 394.32413 211.4
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