CID 91831

1-hexadecylnaphthalene

Structural Information

Molecular Formula
C26H40
SMILES
CCCCCCCCCCCCCCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C26H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-21-18-22-25-20-16-17-23-26(24)25/h16-18,20-23H,2-15,19H2,1H3
InChIKey
IJAFYYIBMJSQLI-UHFFFAOYSA-N
Compound name
1-hexadecylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

352.313 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.32028 196.2
[M+Na]+ 375.30222 198.5
[M-H]- 351.30572 197.9
[M+NH4]+ 370.34682 210.3
[M+K]+ 391.27616 191.5
[M+H-H2O]+ 335.31026 187.3
[M+HCOO]- 397.31120 214.7
[M+CH3COO]- 411.32685 220.9
[M+Na-2H]- 373.28767 197.4
[M]+ 352.31245 201.0
[M]- 352.31355 201.0
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

patents stripe