CID 11226883

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

Structural Information

Molecular Formula
C22H24O3PS
SMILES
C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1
InChIKey
RKQKXPDRWYNUGZ-UHFFFAOYSA-O
Compound name
triphenyl(4-sulfobutyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

399.11838 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12566 197.2
[M+Na]+ 422.10760 201.1
[M-H]- 398.11110 203.7
[M+NH4]+ 417.15220 207.1
[M+K]+ 438.08154 189.5
[M+H-H2O]+ 382.11564 188.3
[M+HCOO]- 444.11658 216.4
[M+CH3COO]- 458.13223 208.4
[M+Na-2H]- 420.09305 201.1
[M]+ 399.11783 197.2
[M]- 399.11893 197.2
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