CID 73555348

Phenol, 2(or 4)-sec-octacosyl-

Structural Information

Molecular Formula
C34H62O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C34H62O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32(2)33-28-30-34(35)31-29-33/h28-32,35H,3-27H2,1-2H3
InChIKey
GBDOBLXFGSGOKL-UHFFFAOYSA-N
Compound name
4-octacosan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

486.48007 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.48735 240.0
[M+Na]+ 509.46929 236.7
[M-H]- 485.47279 237.4
[M+NH4]+ 504.51389 246.8
[M+K]+ 525.44323 228.7
[M+H-H2O]+ 469.47733 229.8
[M+HCOO]- 531.47827 253.6
[M+CH3COO]- 545.49392 246.8
[M+Na-2H]- 507.45474 232.1
[M]+ 486.47952 248.1
[M]- 486.48062 248.1
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

No patent data available for this compound.