CID 494126

Ethyl (tris(4-chlorophenyl)phosphoranyl)acetate

Structural Information

Molecular Formula
C22H19Cl3O2P
SMILES
CCOC(=O)C[P+](C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H19Cl3O2P/c1-2-27-22(26)15-28(19-9-3-16(23)4-10-19,20-11-5-17(24)6-12-20)21-13-7-18(25)8-14-21/h3-14H,2,15H2,1H3/q+1
InChIKey
YZPJHCNVKDYKOX-UHFFFAOYSA-N
Compound name
tris(4-chlorophenyl)-(2-ethoxy-2-oxoethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.01883 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.02611 203.4
[M+Na]+ 474.00805 210.8
[M-H]- 450.01155 209.9
[M+NH4]+ 469.05265 213.9
[M+K]+ 489.98199 198.1
[M+H-H2O]+ 434.01609 196.2
[M+HCOO]- 496.01703 213.6
[M+CH3COO]- 510.03268 221.0
[M+Na-2H]- 471.99350 203.3
[M]+ 451.01828 208.7
[M]- 451.01938 208.7
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.