CID 498141

2-[2-(triphenyl-$l^{5}-phosphanylidene)ethyl]isoindoline-1,3-dione

Structural Information

Molecular Formula
C28H22NO2P
SMILES
C1=CC=C(C=C1)P(=CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H22NO2P/c30-27-25-18-10-11-19-26(25)28(31)29(27)20-21-32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,21H,20H2
InChIKey
KBEZKZGWCYUUBZ-UHFFFAOYSA-N
Compound name
2-[2-(triphenyl-lambda5-phosphanylidene)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.13882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14610 209.0
[M+Na]+ 458.12804 214.3
[M-H]- 434.13154 219.1
[M+NH4]+ 453.17264 218.5
[M+K]+ 474.10198 206.3
[M+H-H2O]+ 418.13608 194.8
[M+HCOO]- 480.13702 232.1
[M+CH3COO]- 494.15267 217.0
[M+Na-2H]- 456.11349 206.8
[M]+ 435.13827 206.8
[M]- 435.13937 206.8
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

No patent data available for this compound.