CID 44151591

94248-43-8

Structural Information

Molecular Formula
C29H36O3
SMILES
CC(CCCCCCCCCC1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C29H36O3/c1-29(24-12-18-27(31)19-13-24,25-14-20-28(32)21-15-25)22-8-6-4-2-3-5-7-9-23-10-16-26(30)17-11-23/h10-21,30-32H,2-9,22H2,1H3
InChIKey
DCFMUIBWZBZJAR-UHFFFAOYSA-N
Compound name
4-[10,10-bis(4-hydroxyphenyl)undecyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.26645 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.27373 211.7
[M+Na]+ 455.25567 214.3
[M-H]- 431.25917 215.9
[M+NH4]+ 450.30027 218.8
[M+K]+ 471.22961 206.6
[M+H-H2O]+ 415.26371 201.8
[M+HCOO]- 477.26465 226.4
[M+CH3COO]- 491.28030 225.2
[M+Na-2H]- 453.24112 211.5
[M]+ 432.26590 212.4
[M]- 432.26700 212.4
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

No patent data available for this compound.