CID 3492869

29149-30-2

Structural Information

Molecular Formula
C27H24O2P
SMILES
C1=CC=C(C=C1)C(CC(=O)O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H23O2P/c28-27(29)21-26(22-13-5-1-6-14-22)30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H,21H2/p+1
InChIKey
BPKSREVSCKWLSJ-UHFFFAOYSA-O
Compound name
(2-carboxy-1-phenylethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1514 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15868 200.7
[M+Na]+ 434.14062 218.3
[M+NH4]+ 429.18522 209.8
[M+K]+ 450.11456 209.4
[M-H]- 410.14412 210.6
[M+Na-2H]- 432.12607 214.8
[M]+ 411.15085 206.7
[M]- 411.15195 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.