CID 14595157

Phenol, didodecyl-

Structural Information

Molecular Formula

C₃₀H₅₄O

SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCCCCC

InChI

InChI=1S/C30H54O/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(31)29(28)26-22-20-18-16-14-12-10-8-6-4-2/h23,25,27,31H,3-22,24,26H2,1-2H3

InChIKey

ILJOIOLSOMYKNF-UHFFFAOYSA-N

Compound name

2,3-didodecylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 618
Patents: 430.41748 Da
Monoisotopic Mass: 14.0
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]+	431.424756	221.5
[M+Na]+	453.406698	221.2
[M-H]-	429.410204	220.1
[M+NH4]+	448.451303	231.1
[M+K]+	469.380638	213.7
[M+H-H2O]+	413.414740	212.2
[M+HCOO]-	475.415681	237.5
[M+CH3COO]-	489.431331	235.7
[M+Na-2H]-	451.392146	216.4
[M]+	430.41693142	229.3
[M]-	430.41802858	229.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe