CID 2773629

3-chloro-2-oxopropyl triphenylphosphonium chloride

Structural Information

Molecular Formula
C21H19ClOP
SMILES
C1=CC=C(C=C1)[P+](CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19ClOP/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/h1-15H,16-17H2/q+1
InChIKey
PMPCVXLLWURZJI-UHFFFAOYSA-N
Compound name
(3-chloro-2-oxopropyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

353.0862 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09348 189.1
[M+Na]+ 376.07542 194.0
[M-H]- 352.07892 196.6
[M+NH4]+ 371.12002 201.8
[M+K]+ 392.04936 181.7
[M+H-H2O]+ 336.08346 180.7
[M+HCOO]- 398.08440 209.9
[M+CH3COO]- 412.10005 205.3
[M+Na-2H]- 374.06087 192.5
[M]+ 353.08565 189.5
[M]- 353.08675 189.5
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