CID 82180

7727-33-5

Structural Information

Molecular Formula
C26H22O4
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C26H22O4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-30H
InChIKey
HDPBBNNDDQOWPJ-UHFFFAOYSA-N
Compound name
4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

10293
Patents

398.1518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15908 195.5
[M+Na]+ 421.14102 199.7
[M-H]- 397.14452 202.8
[M+NH4]+ 416.18562 202.4
[M+K]+ 437.11496 193.3
[M+H-H2O]+ 381.14906 185.5
[M+HCOO]- 443.15000 210.6
[M+CH3COO]- 457.16565 202.9
[M+Na-2H]- 419.12647 195.1
[M]+ 398.15125 191.9
[M]- 398.15235 191.9
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