CID 123590

1-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

14
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 197.1
[M+Na]+ 375.30222 199.1
[M-H]- 351.30572 198.8
[M+NH4]+ 370.34682 211.1
[M+K]+ 391.27616 192.6
[M+H-H2O]+ 335.31026 188.3
[M+HCOO]- 397.31120 214.6
[M+CH3COO]- 411.32685 221.6
[M+Na-2H]- 373.28767 197.0
[M]+ 352.31245 201.3
[M]- 352.31355 201.3
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