CID 3547991

Phosphonium, (1,2-diethoxy-2-oxoethyl)triphenyl-, chloride (1:1)

Structural Information

Molecular Formula
C24H26O3P
SMILES
CCOC(C(=O)OCC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H26O3P/c1-3-26-23(25)24(27-4-2)28(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,24H,3-4H2,1-2H3/q+1
InChIKey
OEZWGWARLLESFE-UHFFFAOYSA-N
Compound name
(1,2-diethoxy-2-oxoethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

393.16196 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16924 204.1
[M+Na]+ 416.15118 206.1
[M-H]- 392.15468 211.4
[M+NH4]+ 411.19578 213.9
[M+K]+ 432.12512 196.8
[M+H-H2O]+ 376.15922 194.1
[M+HCOO]- 438.16016 227.7
[M+CH3COO]- 452.17581 214.4
[M+Na-2H]- 414.13663 205.5
[M]+ 393.16141 204.8
[M]- 393.16251 204.8
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