CID 110925

Einecs 229-882-7

Structural Information

Molecular Formula

C₂₁H₂₈O₂

SMILES

CC(CCCCCCCC1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C21H28O2/c1-17(19-11-15-21(23)16-12-19)7-5-3-2-4-6-8-18-9-13-20(22)14-10-18/h9-17,22-23H,2-8H2,1H3

InChIKey

YNYHFUGZYQQPGL-UHFFFAOYSA-N

Compound name

4-[8-(4-hydroxyphenyl)nonyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 312.20892 Da
Monoisotopic Mass: 7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.216196	179.1
[M+Na]+	335.198138	183.2
[M-H]-	311.201644	182.1
[M+NH4]+	330.242743	192.3
[M+K]+	351.172078	177.6
[M+H-H2O]+	295.206180	171.1
[M+HCOO]-	357.207121	197.5
[M+CH3COO]-	371.222771	205.0
[M+Na-2H]-	333.183586	179.7
[M]+	312.20837142	179.9
[M]-	312.20946858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe