CID 44151993

Diphosphoric acid, triisooctyl ester

Structural Information

Molecular Formula
C24H52O7P2
SMILES
CC(C)CCCCCOP(=O)(O)OP(=O)(OCCCCCC(C)C)OCCCCCC(C)C
InChI
InChI=1S/C24H52O7P2/c1-22(2)16-10-7-13-19-28-32(25,26)31-33(27,29-20-14-8-11-17-23(3)4)30-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3,(H,25,26)
InChIKey
PHFVIWHCTOPZKW-UHFFFAOYSA-N
Compound name
[hydroxy(6-methylheptoxy)phosphoryl] bis(6-methylheptyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

514.31885 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.32613 229.0
[M+Na]+ 537.30807 231.0
[M+NH4]+ 532.35267 236.0
[M+K]+ 553.28201 228.4
[M-H]- 513.31157 220.6
[M+Na-2H]- 535.29352 232.1
[M]+ 514.31830 227.5
[M]- 514.31940 227.5
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