CID 494230

1-(triphenylphosphoranyl)-2-butanone

Structural Information

Molecular Formula
C22H22OP
SMILES
CCC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22OP/c1-2-19(23)18-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18H2,1H3/q+1
InChIKey
KGEZBLKGIWBODU-UHFFFAOYSA-N
Compound name
2-oxobutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

333.14084 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14812 188.3
[M+Na]+ 356.13006 191.9
[M-H]- 332.13356 195.9
[M+NH4]+ 351.17466 200.9
[M+K]+ 372.10400 181.0
[M+H-H2O]+ 316.13810 179.1
[M+HCOO]- 378.13904 213.2
[M+CH3COO]- 392.15469 204.6
[M+Na-2H]- 354.11551 191.5
[M]+ 333.14029 186.5
[M]- 333.14139 186.5
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

patents stripe