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
3
Annotation Hits

0
References

341
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 227.3
[M+Na]+ 477.31042 226.7
[M-H]- 453.31392 226.5
[M+NH4]+ 472.35502 236.3
[M+K]+ 493.28436 223.5
[M+H-H2O]+ 437.31846 215.8
[M+HCOO]- 499.31940 248.5
[M+CH3COO]- 513.33505 238.0
[M+Na-2H]- 475.29587 221.0
[M]+ 454.32065 238.0
[M]- 454.32175 238.0
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

patents stripe