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

639
Patents

430.41748 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.42476 221.5
[M+Na]+ 453.40670 221.2
[M-H]- 429.41020 220.1
[M+NH4]+ 448.45130 231.1
[M+K]+ 469.38064 213.7
[M+H-H2O]+ 413.41474 212.2
[M+HCOO]- 475.41568 237.5
[M+CH3COO]- 489.43133 235.7
[M+Na-2H]- 451.39215 216.4
[M]+ 430.41693 229.3
[M]- 430.41803 229.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe