CID 73555341

Tetradecane, naphthalenetriyltris-

Structural Information

Molecular Formula
C52H92
SMILES
CCCCCCCCCCCCCCC1=CC2=C(C=C(C=C2C=C1)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChI
InChI=1S/C52H92/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-48-43-44-51-46-49(41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-50(52(51)47-48)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43-47H,4-42H2,1-3H3
InChIKey
CZNFBUXHERRVTD-UHFFFAOYSA-N
Compound name
1,3,7-tri(tetradecyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

716.7199 Da
Monoisotopic Mass

25.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.72718 306.5
[M+Na]+ 739.70912 298.9
[M-H]- 715.71262 302.7
[M+NH4]+ 734.75372 275.2
[M+K]+ 755.68306 285.9
[M+H-H2O]+ 699.71716 292.5
[M+HCOO]- 761.71810 293.2
[M+CH3COO]- 775.73375 296.4
[M+Na-2H]- 737.69457 292.2
[M]+ 716.71935 320.5
[M]- 716.72045 320.5
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

No patent data available for this compound.