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: 18
Patents: 376.1592 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	377.166476	196.7
[M+Na]+	399.148418	199.9
[M-H]-	375.151924	203.5
[M+NH4]+	394.193023	207.7
[M+K]+	415.122358	194.0
[M+H-H2O]+	359.156460	184.2
[M+HCOO]-	421.157401	221.7
[M+CH3COO]-	435.173051	217.1
[M+Na-2H]-	397.133866	196.5
[M]+	376.15865142	197.0
[M]-	376.15974858	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe