CID 348148

1,3,5-tris(4-hydroxyphenyl)benzene

Structural Information

Molecular Formula
C24H18O3
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C24H18O3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15,25-27H
InChIKey
RQTDWDATSAVLOR-UHFFFAOYSA-N
Compound name
4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9668
Patents

354.12558 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13286 185.1
[M+Na]+ 377.11480 192.7
[M-H]- 353.11830 194.5
[M+NH4]+ 372.15940 195.3
[M+K]+ 393.08874 185.3
[M+H-H2O]+ 337.12284 175.2
[M+HCOO]- 399.12378 204.3
[M+CH3COO]- 413.13943 194.9
[M+Na-2H]- 375.10025 187.6
[M]+ 354.12503 182.8
[M]- 354.12613 182.8
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