CID 3083733

((methylthio)methyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C20H20PS
SMILES
CSC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20PS/c1-22-17-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
InChIKey
GRAIWYLORMNQBX-UHFFFAOYSA-N
Compound name
methylsulfanylmethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

323.10233 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10961 177.7
[M+Na]+ 346.09155 182.9
[M-H]- 322.09505 185.7
[M+NH4]+ 341.13615 191.8
[M+K]+ 362.06549 171.3
[M+H-H2O]+ 306.09959 169.1
[M+HCOO]- 368.10053 199.7
[M+CH3COO]- 382.11618 200.8
[M+Na-2H]- 344.07700 180.7
[M]+ 323.10178 177.0
[M]- 323.10288 177.0
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

patents stripe