CID 39995

Diisodecyl phenyl phosphate

Structural Information

Molecular Formula
C26H47O4P
SMILES
CC(C)CCCCCCCOP(=O)(OCCCCCCCC(C)C)OC1=CC=CC=C1
InChI
InChI=1S/C26H47O4P/c1-24(2)18-12-7-5-9-16-22-28-31(27,30-26-20-14-11-15-21-26)29-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3
InChIKey
JTNKWPDPEXRFOV-UHFFFAOYSA-N
Compound name
bis(8-methylnonyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

309
Patents

454.3212 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.32848 219.1
[M+Na]+ 477.31042 225.8
[M+NH4]+ 472.35502 222.8
[M+K]+ 493.28436 218.7
[M-H]- 453.31392 218.0
[M+Na-2H]- 475.29587 219.8
[M]+ 454.32065 219.4
[M]- 454.32175 219.4
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