CID 70073

859-65-4

Structural Information

Molecular Formula
C26H21OP
SMILES
C1=CC=C(C=C1)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
InChIKey
MZRSAJZDYIISJW-UHFFFAOYSA-N
Compound name
1-phenyl-2-(triphenyl-lambda5-phosphanylidene)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

288
Patents

380.133 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14028 196.0
[M+Na]+ 403.12222 199.4
[M-H]- 379.12572 205.7
[M+NH4]+ 398.16682 205.9
[M+K]+ 419.09616 192.1
[M+H-H2O]+ 363.13026 182.5
[M+HCOO]- 425.13120 220.8
[M+CH3COO]- 439.14685 217.9
[M+Na-2H]- 401.10767 196.7
[M]+ 380.13245 192.4
[M]- 380.13355 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe