CID 8343

Bis(2-ethylhexyl) phthalate

Structural Information

Molecular Formula
C24H38O4
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
InChIKey
BJQHLKABXJIVAM-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4484
References

55827
Patents

390.277 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 200.6
[M+Na]+ 413.26622 208.6
[M+NH4]+ 408.31082 204.9
[M+K]+ 429.24016 202.5
[M-H]- 389.26972 200.0
[M+Na-2H]- 411.25167 201.8
[M]+ 390.27645 201.2
[M]- 390.27755 201.2
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