CID 494113

22950-50-1

Structural Information

Molecular Formula
C35H32O2P
SMILES
COC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C35H32O2P/c1-37-35(30-19-9-3-10-20-30,34(36)29-17-7-2-8-18-29)27-28-38(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33/h2-26H,27-28H2,1H3/q+1
InChIKey
UERYBYTVDBNLTR-UHFFFAOYSA-N
Compound name
(3-methoxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.214 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.22128 239.2
[M+Na]+ 538.20322 238.4
[M-H]- 514.20672 250.4
[M+NH4]+ 533.24782 241.9
[M+K]+ 554.17716 226.1
[M+H-H2O]+ 498.21126 225.2
[M+HCOO]- 560.21220 258.8
[M+CH3COO]- 574.22785 236.9
[M+Na-2H]- 536.18867 240.5
[M]+ 515.21345 235.2
[M]- 515.21455 235.2
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.