CID 61357

(2-carboxyethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C21H20O2P
SMILES
C1=CC=C(C=C1)[P+](CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19O2P/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/p+1
InChIKey
FLYPZWDELZKIOY-UHFFFAOYSA-O
Compound name
2-carboxyethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

651
Patents

335.1201 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12738 187.0
[M+Na]+ 358.10932 190.3
[M-H]- 334.11282 193.3
[M+NH4]+ 353.15392 198.6
[M+K]+ 374.08326 179.5
[M+H-H2O]+ 318.11736 178.1
[M+HCOO]- 380.11830 210.9
[M+CH3COO]- 394.13395 201.0
[M+Na-2H]- 356.09477 190.5
[M]+ 335.11955 184.2
[M]- 335.12065 184.2
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