CID 110188

4-(hexyloxy)-4'-pentyl-1,1'-biphenyl

Structural Information

Molecular Formula

C₂₃H₃₂O

SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C23H32O/c1-3-5-7-9-19-24-23-17-15-22(16-18-23)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3

InChIKey

MUNIEHKBAUCEJL-UHFFFAOYSA-N

Compound name

1-hexoxy-4-(4-pentylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 324.24533 Da
Monoisotopic Mass: 8.3
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]+	325.252606	184.2
[M+Na]+	347.234548	188.7
[M-H]-	323.238054	189.4
[M+NH4]+	342.279153	198.4
[M+K]+	363.208488	183.1
[M+H-H2O]+	307.242590	175.2
[M+HCOO]-	369.243531	205.6
[M+CH3COO]-	383.259181	213.2
[M+Na-2H]-	345.219996	185.7
[M]+	324.24478142	188.5
[M]-	324.24587858	188.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe