CID 249952

66160-92-7

Structural Information

Molecular Formula
C18H39O13P
SMILES
C(COCCOCCOP(=O)(OCCOCCOCCO)OCCOCCOCCO)O
InChI
InChI=1S/C18H39O13P/c19-1-4-23-7-10-26-13-16-29-32(22,30-17-14-27-11-8-24-5-2-20)31-18-15-28-12-9-25-6-3-21/h19-21H,1-18H2
InChIKey
BONLISHREBVIRW-UHFFFAOYSA-N
Compound name
tris[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

224
Patents

494.21283 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.22011 225.8
[M+Na]+ 517.20205 223.4
[M-H]- 493.20555 218.4
[M+NH4]+ 512.24665 225.9
[M+K]+ 533.17599 216.7
[M+H-H2O]+ 477.21009 215.9
[M+HCOO]- 539.21103 237.8
[M+CH3COO]- 553.22668 228.5
[M+Na-2H]- 515.18750 207.0
[M]+ 494.21228 224.2
[M]- 494.21338 224.2
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