CID 3016914

2,6-dinonylphenol

Structural Information

Molecular Formula

C₂₄H₄₂O

SMILES

CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)O

InChI

InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24(22)25)19-16-14-12-10-8-6-4-2/h17,20-21,25H,3-16,18-19H2,1-2H3

InChIKey

CVIAERHUEXHJNW-UHFFFAOYSA-N

Compound name

2,6-di(nonyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 346.32358 Da
Monoisotopic Mass: 10.7
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]+	347.33086	195.2
[M+Na]+	369.31280	197.6
[M-H]-	345.31630	195.1
[M+NH4]+	364.35740	208.3
[M+K]+	385.28674	191.5
[M+H-H2O]+	329.32084	187.2
[M+HCOO]-	391.32178	213.3
[M+CH3COO]-	405.33743	218.1
[M+Na-2H]-	367.29825	193.3
[M]+	346.32303	200.9
[M]-	346.32413	200.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe