CID 97111

2(3h)-furanone, 3-(triphenylphosphoranylidene)-

Structural Information

Molecular Formula
C22H19O2P
SMILES
C1COC(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19O2P/c23-22-21(16-17-24-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKey
JUKRJGQYUNADDD-UHFFFAOYSA-N
Compound name
3-(triphenyl-lambda5-phosphanylidene)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

346.11227 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11955 183.5
[M+Na]+ 369.10149 188.1
[M-H]- 345.10499 194.7
[M+NH4]+ 364.14609 196.1
[M+K]+ 385.07543 183.5
[M+H-H2O]+ 329.10953 172.1
[M+HCOO]- 391.11047 208.6
[M+CH3COO]- 405.12612 208.9
[M+Na-2H]- 367.08694 183.2
[M]+ 346.11172 180.1
[M]- 346.11282 180.1
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