CID 202026

Triphenylcarboxymethylphosphonium chloride

Structural Information

Molecular Formula
C20H18O2P
SMILES
C1=CC=C(C=C1)[P+](CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H17O2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1
InChIKey
UXCYNTVOTOZDBK-UHFFFAOYSA-O
Compound name
carboxymethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

321.10443 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11171 182.1
[M+Na]+ 344.09365 186.0
[M-H]- 320.09715 188.7
[M+NH4]+ 339.13825 194.4
[M+K]+ 360.06759 175.4
[M+H-H2O]+ 304.10169 173.5
[M+HCOO]- 366.10263 206.5
[M+CH3COO]- 380.11828 198.1
[M+Na-2H]- 342.07910 186.3
[M]+ 321.10388 179.1
[M]- 321.10498 179.1
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

patents stripe