CID 11272911

439937-65-2

Structural Information

Molecular Formula
C21H22O3PS
SMILES
C1=CC=C(C=C1)[P+](CCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H21O3PS/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2/p+1
InChIKey
CHVFGCXPLGAAQN-UHFFFAOYSA-O
Compound name
triphenyl(3-sulfopropyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

385.10272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11000 183.4
[M+Na]+ 408.09194 198.8
[M+NH4]+ 403.13654 192.0
[M+K]+ 424.06588 190.2
[M-H]- 384.09544 189.9
[M+Na-2H]- 406.07739 195.2
[M]+ 385.10217 188.5
[M]- 385.10327 188.5
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