CID 3273187

Methyl-tri-thiophen-2-yl-phosphonium, iodide

Structural Information

Molecular Formula
C13H12PS3
SMILES
C[P+](C1=CC=CS1)(C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C13H12PS3/c1-14(11-5-2-8-15-11,12-6-3-9-16-12)13-7-4-10-17-13/h2-10H,1H3/q+1
InChIKey
UWGMCTRGMIQTDO-UHFFFAOYSA-N
Compound name
methyl(trithiophen-2-yl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9839 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.991176 160.5
[M+Na]+ 317.973118 172.1
[M-H]- 293.976624 171.1
[M+NH4]+ 313.017723 182.6
[M+K]+ 333.947058 162.8
[M+H-H2O]+ 277.981160 156.7
[M+HCOO]- 339.982101 179.3
[M+CH3COO]- 353.997751 191.1
[M+Na-2H]- 315.958566 158.8
[M]+ 294.98335142 162.8
[M]- 294.98444858 162.8
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.