CID 172321

Phenol, dinonyl-

Structural Information

Molecular Formula
C24H42O
SMILES
CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC
InChI
InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25H,3-16,18,20H2,1-2H3
InChIKey
JKTAIYGNOFSMCE-UHFFFAOYSA-N
Compound name
2,3-di(nonyl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

11544
Patents

346.32358 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe