CID 15038

1-(triphenylphosphoranylidene)acetone

Structural Information

Molecular Formula
C21H19OP
SMILES
CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
InChIKey
KAANTNXREIRLCT-UHFFFAOYSA-N
Compound name
1-(triphenyl-lambda5-phosphanylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1428
Patents

318.11734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12462 179.0
[M+Na]+ 341.10656 183.7
[M-H]- 317.11006 186.5
[M+NH4]+ 336.15116 192.5
[M+K]+ 357.08050 177.8
[M+H-H2O]+ 301.11460 167.5
[M+HCOO]- 363.11554 204.9
[M+CH3COO]- 377.13119 206.9
[M+Na-2H]- 339.09201 180.4
[M]+ 318.11679 177.2
[M]- 318.11789 177.2
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