CID 292601

Octadecyl phenyl ether

Structural Information

Molecular Formula
C24H42O
SMILES
CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1
InChI
InChI=1S/C24H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
InChIKey
QDYGCAOQFANHSG-UHFFFAOYSA-N
Compound name
octadecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

868
Patents

346.32358 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.33086 195.8
[M+Na]+ 369.31280 196.7
[M-H]- 345.31630 196.3
[M+NH4]+ 364.35740 209.0
[M+K]+ 385.28674 191.5
[M+H-H2O]+ 329.32084 187.0
[M+HCOO]- 391.32178 215.5
[M+CH3COO]- 405.33743 218.4
[M+Na-2H]- 367.29825 195.7
[M]+ 346.32303 202.6
[M]- 346.32413 202.6
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