CID 87807

18818-33-2

Structural Information

Molecular Formula
C5H9PS4
SMILES
CC12CSP(=S)(SC1)SC2
InChI
InChI=1S/C5H9PS4/c1-5-2-8-6(7,9-3-5)10-4-5/h2-4H2,1H3
InChIKey
FQCUMXAELXKPQO-UHFFFAOYSA-N
Compound name
4-methyl-1-sulfanylidene-2,6,7-trithia-1lambda5-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.93246 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.939736 134.3
[M+Na]+ 250.921678 139.0
[M-H]- 226.925184 126.6
[M+NH4]+ 245.966283 158.8
[M+K]+ 266.895618 135.2
[M+H-H2O]+ 210.929720 129.9
[M+HCOO]- 272.930661 132.1
[M+CH3COO]- 286.946311 142.5
[M+Na-2H]- 248.907126 144.9
[M]+ 227.93191142 134.9
[M]- 227.93300858 134.9
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.