CID 494129

Ethyl (tris(4-methoxyphenyl)phosphoranyl)acetate

Structural Information

Molecular Formula
C25H28O5P
SMILES
CCOC(=O)C[P+](C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H28O5P/c1-5-30-25(26)18-31(22-12-6-19(27-2)7-13-22,23-14-8-20(28-3)9-15-23)24-16-10-21(29-4)11-17-24/h6-17H,5,18H2,1-4H3/q+1
InChIKey
HQWDKOPBMPXJJH-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-tris(4-methoxyphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.16745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17473 214.1
[M+Na]+ 462.15667 218.1
[M-H]- 438.16017 222.2
[M+NH4]+ 457.20127 222.8
[M+K]+ 478.13061 209.8
[M+H-H2O]+ 422.16471 203.6
[M+HCOO]- 484.16565 238.5
[M+CH3COO]- 498.18130 224.0
[M+Na-2H]- 460.14212 214.8
[M]+ 439.16690 219.5
[M]- 439.16800 219.5
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

No patent data available for this compound.