CID 9954918

Diethylhexyl 2,6-naphthalate

Structural Information

Molecular Formula
C28H40O4
SMILES
CCCCC(CC)COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C28H40O4/c1-5-9-11-21(7-3)19-31-27(29)25-15-13-24-18-26(16-14-23(24)17-25)28(30)32-20-22(8-4)12-10-6-2/h13-18,21-22H,5-12,19-20H2,1-4H3
InChIKey
UFVWHIGSVGIZRQ-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) naphthalene-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1923
Patents

440.29266 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.29994 213.1
[M+Na]+ 463.28188 222.6
[M+NH4]+ 458.32648 218.0
[M+K]+ 479.25582 215.2
[M-H]- 439.28538 213.7
[M+Na-2H]- 461.26733 214.6
[M]+ 440.29211 214.4
[M]- 440.29321 214.4
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