CID 494136

Methyl 2-(triphenylphosphoranyl)propanoate

Structural Information

Molecular Formula
C22H22O2P
SMILES
CC(C(=O)OC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22O2P/c1-18(22(23)24-2)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/q+1
InChIKey
MEWCABWAYWMDNW-UHFFFAOYSA-N
Compound name
(1-methoxy-1-oxopropan-2-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

349.13574 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14302 191.1
[M+Na]+ 372.12496 194.3
[M-H]- 348.12846 198.8
[M+NH4]+ 367.16956 202.9
[M+K]+ 388.09890 184.7
[M+H-H2O]+ 332.13300 181.9
[M+HCOO]- 394.13394 215.3
[M+CH3COO]- 408.14959 206.6
[M+Na-2H]- 370.11041 193.4
[M]+ 349.13519 189.9
[M]- 349.13629 189.9
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

patents stripe