CID 4196087

28746-23-8

Structural Information

Molecular Formula
C28H28OP
SMILES
CC1=C(C=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COC
InChI
InChI=1S/C28H28OP/c1-23-24(21-29-2)13-12-14-25(23)22-30(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-20H,21-22H2,1-2H3/q+1
InChIKey
VAYMSAHVBQSEHG-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)-2-methylphenyl]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.18777 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19505 204.0
[M+Na]+ 434.17699 223.9
[M+NH4]+ 429.22159 214.4
[M+K]+ 450.15093 212.6
[M-H]- 410.18049 215.6
[M+Na-2H]- 432.16244 219.1
[M]+ 411.18722 211.1
[M]- 411.18832 211.1
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.