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]+ 295.99118 160.5
[M+Na]+ 317.97312 172.1
[M-H]- 293.97662 171.1
[M+NH4]+ 313.01772 182.6
[M+K]+ 333.94706 162.8
[M+H-H2O]+ 277.98116 156.7
[M+HCOO]- 339.98210 179.3
[M+CH3COO]- 353.99775 191.1
[M+Na-2H]- 315.95857 158.8
[M]+ 294.98335 162.8
[M]- 294.98445 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.