CID 33154

Decyl hexyl phthalate

Structural Information

Molecular Formula
C24H38O4
SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
InChI
InChI=1S/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey
OMQBXAQAHHFSST-UHFFFAOYSA-N
Compound name
2-O-decyl 1-O-hexyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

455
Patents

390.277 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 201.6
[M+Na]+ 413.26622 210.3
[M+NH4]+ 408.31082 206.1
[M+K]+ 429.24016 202.5
[M-H]- 389.26972 201.4
[M+Na-2H]- 411.25167 203.4
[M]+ 390.27645 202.5
[M]- 390.27755 202.5
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