CID 498103

2-hydroxy-1,2,4-triphenyl-4-(triphenylphosphoranyl)-1-butanone

Structural Information

Molecular Formula
C40H33O2P
SMILES
C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC(C5=CC=CC=C5)(C(=O)C6=CC=CC=C6)O
InChI
InChI=1S/C40H33O2P/c41-39(33-21-9-2-10-22-33)40(42,34-23-11-3-12-24-34)31-38(32-19-7-1-8-20-32)43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30,42H,31H2
InChIKey
SGNHZLVBXDSXGW-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2,4-triphenyl-4-(triphenyl-lambda5-phosphanylidene)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.2218 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.22908 243.3
[M+Na]+ 599.21102 241.1
[M-H]- 575.21452 254.8
[M+NH4]+ 594.25562 242.2
[M+K]+ 615.18496 232.9
[M+H-H2O]+ 559.21906 226.1
[M+HCOO]- 621.22000 259.9
[M+CH3COO]- 635.23565 245.6
[M+Na-2H]- 597.19647 240.9
[M]+ 576.22125 235.6
[M]- 576.22235 235.6
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.