CID 381570

Nsc668359

Structural Information

Molecular Formula
C43H36O2P2
SMILES
C1CC1(C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C43H36O2P2/c44-41(33-46(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)43(31-32-43)42(45)34-47(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34H,31-32H2
InChIKey
MQSNEOZJUVNCMO-UHFFFAOYSA-N
Compound name
2-(triphenyl-lambda5-phosphanylidene)-1-[1-[2-(triphenyl-lambda5-phosphanylidene)acetyl]cyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.21906 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.22634 247.1
[M+Na]+ 669.20828 245.9
[M-H]- 645.21178 260.3
[M+NH4]+ 664.25288 242.2
[M+K]+ 685.18222 241.0
[M+H-H2O]+ 629.21632 228.3
[M+HCOO]- 691.21726 269.6
[M+CH3COO]- 705.23291 248.9
[M+Na-2H]- 667.19373 241.8
[M]+ 646.21851 241.4
[M]- 646.21961 241.4
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.