CID 494127

Nsc132549

Structural Information

Molecular Formula
C22H19F3O2P
SMILES
CCOC(=O)C[P+](C1=CC=CC(=C1)F)(C2=CC=CC(=C2)F)C3=CC=CC(=C3)F
InChI
InChI=1S/C22H19F3O2P/c1-2-27-22(26)15-28(19-9-3-6-16(23)12-19,20-10-4-7-17(24)13-20)21-11-5-8-18(25)14-21/h3-14H,2,15H2,1H3/q+1
InChIKey
MNFHCHSMKNYYTB-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-tris(3-fluorophenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.10748 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11476 200.7
[M+Na]+ 426.09670 207.1
[M-H]- 402.10020 205.3
[M+NH4]+ 421.14130 211.1
[M+K]+ 442.07064 195.6
[M+H-H2O]+ 386.10474 188.6
[M+HCOO]- 448.10568 222.5
[M+CH3COO]- 462.12133 217.1
[M+Na-2H]- 424.08215 200.3
[M]+ 403.10693 198.1
[M]- 403.10803 198.1
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.