CID 71051

P,p'-octylidenebisphenol

Structural Information

Molecular Formula

C₂₀H₂₆O₂

SMILES

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

InChI

InChI=1S/C20H26O2/c1-2-3-4-5-6-7-20(16-8-12-18(21)13-9-16)17-10-14-19(22)15-11-17/h8-15,20-22H,2-7H2,1H3

InChIKey

NBKVULRGDSYCGP-UHFFFAOYSA-N

Compound name

4-[1-(4-hydroxyphenyl)octyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1329
Patents: 298.19327 Da
Monoisotopic Mass: 6.7
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]+	299.200546	174.6
[M+Na]+	321.182488	179.1
[M-H]-	297.185994	177.8
[M+NH4]+	316.227093	188.3
[M+K]+	337.156428	173.7
[M+H-H2O]+	281.190530	166.8
[M+HCOO]-	343.191471	193.3
[M+CH3COO]-	357.207121	202.1
[M+Na-2H]-	319.167936	175.7
[M]+	298.19272142	175.0
[M]-	298.19381858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe