CID 5271413

89210-95-7

Structural Information

Molecular Formula
C18H31O6P
SMILES
CCOP(=O)(CCCCCCOC1=C(C=CC=C1OC)OC)OCC
InChI
InChI=1S/C18H31O6P/c1-5-23-25(19,24-6-2)15-10-8-7-9-14-22-18-16(20-3)12-11-13-17(18)21-4/h11-13H,5-10,14-15H2,1-4H3
InChIKey
XKMIELFAOFHGJO-UHFFFAOYSA-N
Compound name
2-(6-diethoxyphosphorylhexoxy)-1,3-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.18582 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19310 192.7
[M+Na]+ 397.17504 197.5
[M-H]- 373.17854 194.1
[M+NH4]+ 392.21964 205.6
[M+K]+ 413.14898 196.7
[M+H-H2O]+ 357.18308 182.5
[M+HCOO]- 419.18402 219.1
[M+CH3COO]- 433.19967 219.5
[M+Na-2H]- 395.16049 192.4
[M]+ 374.18527 205.5
[M]- 374.18637 205.5
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

No patent data available for this compound.