CID 196995

1235-21-8

Structural Information

Molecular Formula
C21H20OP
SMILES
CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20OP/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/h2-16H,17H2,1H3/q+1
InChIKey
JNNWBCPZJMSRRI-UHFFFAOYSA-N
Compound name
2-oxopropyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

528
Patents

319.12518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13246 175.7
[M+Na]+ 342.11440 193.3
[M+NH4]+ 337.15900 185.9
[M+K]+ 358.08834 184.6
[M-H]- 318.11790 184.3
[M+Na-2H]- 340.09985 189.0
[M]+ 319.12463 181.3
[M]- 319.12573 181.3
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