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
1
Annotation Hits

0
References

1677
Patents

318.29227 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.29955 186.7
[M+Na]+ 341.28149 188.9
[M-H]- 317.28499 186.6
[M+NH4]+ 336.32609 200.6
[M+K]+ 357.25543 183.4
[M+H-H2O]+ 301.28953 178.8
[M+HCOO]- 363.29047 205.5
[M+CH3COO]- 377.30612 211.0
[M+Na-2H]- 339.26694 186.6
[M]+ 318.29172 191.2
[M]- 318.29282 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