CID 4438129

Benzene, (hexadecyloxy)-

Structural Information

Molecular Formula
C22H38O
SMILES
CCCCCCCCCCCCCCCCOC1=CC=CC=C1
InChI
InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKey
FQKWHGOHXVHGMR-UHFFFAOYSA-N
Compound name
hexadecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

849
Patents

318.29227 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.29955 186.9
[M+Na]+ 341.28149 188.7
[M-H]- 317.28499 187.8
[M+NH4]+ 336.32609 201.3
[M+K]+ 357.25543 184.0
[M+H-H2O]+ 301.28953 178.5
[M+HCOO]- 363.29047 207.2
[M+CH3COO]- 377.30612 212.5
[M+Na-2H]- 339.26694 187.9
[M]+ 318.29172 193.0
[M]- 318.29282 193.0
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