CID 498119

59499-27-3

Structural Information

Molecular Formula
C24H25O2P
SMILES
CCOC(=O)CCC=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25O2P/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18,20H,2,12,19H2,1H3
InChIKey
ULLRAXAATZPHIK-UHFFFAOYSA-N
Compound name
ethyl 4-(triphenyl-lambda5-phosphanylidene)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

376.1592 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16648 196.7
[M+Na]+ 399.14842 199.9
[M-H]- 375.15192 203.5
[M+NH4]+ 394.19302 207.7
[M+K]+ 415.12236 194.0
[M+H-H2O]+ 359.15646 184.2
[M+HCOO]- 421.15740 221.7
[M+CH3COO]- 435.17305 217.1
[M+Na-2H]- 397.13387 196.5
[M]+ 376.15865 197.0
[M]- 376.15975 197.0
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

patents stripe