CID 372288

13321-61-4

Structural Information

Molecular Formula
C23H21O3P
SMILES
CCOC(=O)C(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H21O3P/c1-2-26-23(25)22(24)18-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKey
OQLOPRPWPANPIE-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

376.12283 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13011 193.1
[M+Na]+ 399.11205 196.6
[M-H]- 375.11555 200.4
[M+NH4]+ 394.15665 203.9
[M+K]+ 415.08599 191.7
[M+H-H2O]+ 359.12009 180.9
[M+HCOO]- 421.12103 217.9
[M+CH3COO]- 435.13668 216.1
[M+Na-2H]- 397.09750 192.7
[M]+ 376.12228 193.3
[M]- 376.12338 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.