CID 168856

29036-21-3

Structural Information

Molecular Formula
C21H20O3
SMILES
C1=CC=C(C(=C1)CCC(C2=CC=CC=C2O)C3=CC=CC=C3O)O
InChI
InChI=1S/C21H20O3/c22-19-10-4-1-7-15(19)13-14-16(17-8-2-5-11-20(17)23)18-9-3-6-12-21(18)24/h1-12,16,22-24H,13-14H2
InChIKey
CQOZJDNCADWEKH-UHFFFAOYSA-N
Compound name
2-[3,3-bis(2-hydroxyphenyl)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8446
Patents

320.14124 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 178.4
[M+Na]+ 343.13046 193.6
[M+NH4]+ 338.17506 186.2
[M+K]+ 359.10440 185.5
[M-H]- 319.13396 184.2
[M+Na-2H]- 341.11591 188.2
[M]+ 320.14069 182.3
[M]- 320.14179 182.3
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