CID 494138

Einecs 217-222-0

Structural Information

Molecular Formula
C21H20O2P
SMILES
COC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
InChIKey
WAUPCPBLQVSZQD-UHFFFAOYSA-N
Compound name
(2-methoxy-2-oxoethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

383
Patents

335.1201 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12738 187.2
[M+Na]+ 358.10932 191.1
[M-H]- 334.11282 195.0
[M+NH4]+ 353.15392 199.6
[M+K]+ 374.08326 181.1
[M+H-H2O]+ 318.11736 178.0
[M+HCOO]- 380.11830 212.6
[M+CH3COO]- 394.13395 203.0
[M+Na-2H]- 356.09477 191.1
[M]+ 335.11955 186.2
[M]- 335.12065 186.2
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

patents stripe