CID 287004

1-chloro-3-(triphenyl phosphoranylidene)propan-2-one

Structural Information

Molecular Formula
C21H18ClOP
SMILES
C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2
InChIKey
NYAMPFDYTBDISG-UHFFFAOYSA-N
Compound name
1-chloro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

352.07837 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08565 184.8
[M+Na]+ 375.06759 190.6
[M-H]- 351.07109 192.2
[M+NH4]+ 370.11219 198.0
[M+K]+ 391.04153 182.8
[M+H-H2O]+ 335.07563 173.8
[M+HCOO]- 397.07657 206.3
[M+CH3COO]- 411.09222 210.5
[M+Na-2H]- 373.05304 186.0
[M]+ 352.07782 185.6
[M]- 352.07892 185.6
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