CID 6423816

1,2-benzenedicarboxylic acid, decyl dodecyl ester

Structural Information

Molecular Formula
C30H50O4
SMILES
CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC
InChI
InChI=1S/C30H50O4/c1-3-5-7-9-11-13-14-16-18-22-26-34-30(32)28-24-20-19-23-27(28)29(31)33-25-21-17-15-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
InChIKey
LSFXZINWHRXLQZ-UHFFFAOYSA-N
Compound name
1-O-decyl 2-O-dodecyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

474.3709 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.37818 227.7
[M+Na]+ 497.36012 235.1
[M+NH4]+ 492.40472 231.1
[M+K]+ 513.33406 225.9
[M-H]- 473.36362 227.2
[M+Na-2H]- 495.34557 227.9
[M]+ 474.37035 228.3
[M]- 474.37145 228.3
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