CID 173955

Einecs 264-405-6

Structural Information

Molecular Formula
C36H50O2
SMILES
CCCCCCCCCCCCCCCCCCOC1=CC(=C(C(=C1)C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C36H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-38-33-29-34(31-24-19-17-20-25-31)36(37)35(30-33)32-26-21-18-22-27-32/h17-22,24-27,29-30,37H,2-16,23,28H2,1H3
InChIKey
JJHKARPEMHIIQC-UHFFFAOYSA-N
Compound name
4-octadecoxy-2,6-diphenylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11962
Patents

514.3811 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.38838 239.3
[M+Na]+ 537.37032 239.3
[M-H]- 513.37382 244.2
[M+NH4]+ 532.41492 244.1
[M+K]+ 553.34426 230.2
[M+H-H2O]+ 497.37836 226.7
[M+HCOO]- 559.37930 255.8
[M+CH3COO]- 573.39495 247.3
[M+Na-2H]- 535.35577 234.9
[M]+ 514.38055 244.7
[M]- 514.38165 244.7
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