CID 18973833

142620-97-1

Structural Information

Molecular Formula
C27H24O2P
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)CC(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H23O2P/c28-27(29)20-22-16-18-23(19-17-22)21-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19H,20-21H2/p+1
InChIKey
QETRLYIXBIRUFN-UHFFFAOYSA-O
Compound name
[4-(carboxymethyl)phenyl]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

411.1514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15868 209.2
[M+Na]+ 434.14062 211.6
[M-H]- 410.14412 218.0
[M+NH4]+ 429.18522 217.0
[M+K]+ 450.11456 199.3
[M+H-H2O]+ 394.14866 198.2
[M+HCOO]- 456.14960 231.7
[M+CH3COO]- 470.16525 216.1
[M+Na-2H]- 432.12607 210.8
[M]+ 411.15085 205.6
[M]- 411.15195 205.6
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