CID 3492869

(2-carboxy-1-phenylethyl)triphenylphosphonium bromide

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 208.4
[M+Na]+ 434.14062 209.4
[M-H]- 410.14412 216.8
[M+NH4]+ 429.18522 215.7
[M+K]+ 450.11456 197.7
[M+H-H2O]+ 394.14866 197.4
[M+HCOO]- 456.14960 229.8
[M+CH3COO]- 470.16525 215.7
[M+Na-2H]- 432.12607 209.5
[M]+ 411.15085 203.7
[M]- 411.15195 203.7
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.