CID 3862746

15097-38-8

Structural Information

Molecular Formula
C27H23O2P
SMILES
C1=CC=C(C=C1)COC(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H23O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2
InChIKey
INKMLGJBBDRIQR-UHFFFAOYSA-N
Compound name
benzyl 2-(triphenyl-lambda5-phosphanylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

410.14355 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15083 202.6
[M+Na]+ 433.13277 219.2
[M+NH4]+ 428.17737 210.8
[M+K]+ 449.10671 208.4
[M-H]- 409.13627 211.2
[M+Na-2H]- 431.11822 216.4
[M]+ 410.14300 207.7
[M]- 410.14410 207.7
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