CID 77296

3705-62-2

Structural Information

Molecular Formula
C36H26O5
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC(=C5)OC6=CC=CC=C6
InChI
InChI=1S/C36H26O5/c1-3-11-27(12-4-1)37-29-15-7-17-31(23-29)39-33-19-9-21-35(25-33)41-36-22-10-20-34(26-36)40-32-18-8-16-30(24-32)38-28-13-5-2-6-14-28/h1-26H
InChIKey
RRVQXJQJDRLGGO-UHFFFAOYSA-N
Compound name
1-phenoxy-3-[3-[3-(3-phenoxyphenoxy)phenoxy]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

538.17804 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.18532 239.3
[M+Na]+ 561.16726 260.5
[M+NH4]+ 556.21186 247.4
[M+K]+ 577.14120 246.9
[M-H]- 537.17076 253.2
[M+Na-2H]- 559.15271 256.4
[M]+ 538.17749 246.9
[M]- 538.17859 246.9
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