CID 3056474

2,4-dichlorobenzyl-tris(p-methylthiophenyl) phosphonium chloride

Structural Information

Molecular Formula
C28H26Cl2PS3
SMILES
CSC1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=C(C=C3)SC)C4=CC=C(C=C4)SC
InChI
InChI=1S/C28H26Cl2PS3/c1-32-25-12-6-22(7-13-25)31(23-8-14-26(33-2)15-9-23,24-10-16-27(34-3)17-11-24)19-20-4-5-21(29)18-28(20)30/h4-18H,19H2,1-3H3/q+1
InChIKey
JZZRGUUAFREASU-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl-tris(4-methylsulfanylphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.0311 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.03838 211.4
[M+Na]+ 582.02032 218.4
[M-H]- 558.02382 220.9
[M+NH4]+ 577.06492 218.6
[M+K]+ 597.99426 202.5
[M+H-H2O]+ 542.02836 203.3
[M+HCOO]- 604.02930 213.4
[M+CH3COO]- 618.04495 239.4
[M+Na-2H]- 580.00577 209.2
[M]+ 559.03055 215.0
[M]- 559.03165 215.0
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

No patent data available for this compound.