CID 75768

4-hexadecylphenol

Structural Information

Molecular Formula
C22H38O
SMILES
CCCCCCCCCCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20,23H,2-16H2,1H3
InChIKey
MHCHQNXRVNQPHJ-UHFFFAOYSA-N
Compound name
4-hexadecylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1749
Patents

318.29227 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.299546 186.7
[M+Na]+ 341.281488 188.9
[M-H]- 317.284994 186.6
[M+NH4]+ 336.326093 200.6
[M+K]+ 357.255428 183.4
[M+H-H2O]+ 301.289530 178.8
[M+HCOO]- 363.290471 205.5
[M+CH3COO]- 377.306121 211.0
[M+Na-2H]- 339.266936 186.6
[M]+ 318.29172142 191.2
[M]- 318.29281858 191.2
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