CID 123590

Sec-hexadecylnaphthalene

Structural Information

Molecular Formula
C26H40
SMILES
CCCCCCCCCCCCCCC(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C26H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23(2)25-22-17-20-24-19-15-16-21-26(24)25/h15-17,19-23H,3-14,18H2,1-2H3
InChIKey
YRKSLYAWOBZISP-UHFFFAOYSA-N
Compound name
1-hexadecan-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

352.313 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.32028 196.1
[M+Na]+ 375.30222 208.7
[M+NH4]+ 370.34682 204.8
[M+K]+ 391.27616 196.9
[M-H]- 351.30572 200.1
[M+Na-2H]- 373.28767 201.4
[M]+ 352.31245 199.3
[M]- 352.31355 199.3
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