CID 3085598

Diisodecyl 4,4'-carbonyldiphthalate

Structural Information

Molecular Formula
C30H48O6
SMILES
CC(C)CCCCCCCOC(=O)C1=CCC(C=C1C(=O)OCCCCCCCC(C)C)(C=O)C=O
InChI
InChI=1S/C30H48O6/c1-24(2)15-11-7-5-9-13-19-35-28(33)26-17-18-30(22-31,23-32)21-27(26)29(34)36-20-14-10-6-8-12-16-25(3)4/h17,21-25H,5-16,18-20H2,1-4H3
InChIKey
CRZDIYMNQGYTJJ-UHFFFAOYSA-N
Compound name
bis(8-methylnonyl) 4,4-diformylcyclohexa-2,6-diene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

504.3451 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.35238 229.5
[M+Na]+ 527.33432 229.4
[M-H]- 503.33782 229.8
[M+NH4]+ 522.37892 228.5
[M+K]+ 543.30826 226.5
[M+H-H2O]+ 487.34236 221.7
[M+HCOO]- 549.34330 230.5
[M+CH3COO]- 563.35895 246.3
[M+Na-2H]- 525.31977 221.7
[M]+ 504.34455 240.0
[M]- 504.34565 240.0
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.