CID 23418328

16610-51-8

Structural Information

Molecular Formula
C10H12N2P2S5
SMILES
C1=CC=[N+](C=C1)P(=S)(S)SP(=S)([N+]2=CC=CC=C2)S
InChI
InChI=1S/C10H10N2P2S5/c15-13(16,11-7-3-1-4-8-11)19-14(17,18)12-9-5-2-6-10-12/h1-10H/p+2
InChIKey
FOJFFKWENUWRFK-UHFFFAOYSA-P
Compound name
pyridin-1-ium-1-yl-[pyridin-1-ium-1-yl(sulfanyl)phosphinothioyl]sulfanyl-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

381.90793 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.91521 154.5
[M+Na]+ 404.89715 160.6
[M-H]- 380.90065 153.6
[M+NH4]+ 399.94175 162.7
[M+K]+ 420.87109 140.2
[M+H-H2O]+ 364.90519 146.1
[M+HCOO]- 426.90613 159.6
[M+CH3COO]- 440.92178 202.9
[M+Na-2H]- 402.88260 160.1
[M]+ 381.90738 141.8
[M]- 381.90848 141.8
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

patents stripe