CID 6537

Tris(2-ethylhexyl) phosphate

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

55
References

21946
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