CID 2724471

82105-88-2

Structural Information

Molecular Formula
C27H26OP
SMILES
CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26OP/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3/q+1
InChIKey
QCMHSYZNHGLMAU-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

272
Patents

397.17212 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17940 199.7
[M+Na]+ 420.16134 219.4
[M+NH4]+ 415.20594 210.3
[M+K]+ 436.13528 208.2
[M-H]- 396.16484 211.2
[M+Na-2H]- 418.14679 215.3
[M]+ 397.17157 206.7
[M]- 397.17267 206.7
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