CID 257831

4,4'-propane-1,3-diyldiphenol

Structural Information

Molecular Formula
C15H16O2
SMILES
C1=CC(=CC=C1CCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H16O2/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1-3H2
InChIKey
BGKMFFFXZCKKGJ-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxyphenyl)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1601
Patents

228.11504 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 151.3
[M+Na]+ 251.104258 158.5
[M-H]- 227.107764 155.5
[M+NH4]+ 246.148863 168.1
[M+K]+ 267.078198 153.7
[M+H-H2O]+ 211.112300 144.5
[M+HCOO]- 273.113241 172.8
[M+CH3COO]- 287.128891 186.3
[M+Na-2H]- 249.089706 156.5
[M]+ 228.11449142 150.7
[M]- 228.11558858 150.7
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