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

261
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 192.7
[M+Na]+ 408.09194 197.0
[M-H]- 384.09544 199.4
[M+NH4]+ 403.13654 203.1
[M+K]+ 424.06588 185.6
[M+H-H2O]+ 368.09998 183.9
[M+HCOO]- 430.10092 212.3
[M+CH3COO]- 444.11657 205.5
[M+Na-2H]- 406.07739 197.1
[M]+ 385.10217 192.4
[M]- 385.10327 192.4
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