CID 90715

Triisooctyl phosphate

Structural Information

Molecular Formula
C24H51O4P
SMILES
CC(C)CCCCCOP(=O)(OCCCCCC(C)C)OCCCCCC(C)C
InChI
InChI=1S/C24H51O4P/c1-22(2)16-10-7-13-19-26-29(25,27-20-14-8-11-17-23(3)4)28-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
InChIKey
FSLSJTZWDATVTK-UHFFFAOYSA-N
Compound name
tris(6-methylheptyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

988
Patents

434.3525 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.35978 216.0
[M+Na]+ 457.34172 222.2
[M-H]- 433.34522 206.8
[M+NH4]+ 452.38632 221.3
[M+K]+ 473.31566 220.2
[M+H-H2O]+ 417.34976 210.0
[M+HCOO]- 479.35070 224.4
[M+CH3COO]- 493.36635 237.4
[M+Na-2H]- 455.32717 203.3
[M]+ 434.35195 216.5
[M]- 434.35305 216.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe