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]+ 228.93974 134.3
[M+Na]+ 250.92168 139.0
[M-H]- 226.92518 126.6
[M+NH4]+ 245.96628 158.8
[M+K]+ 266.89562 135.2
[M+H-H2O]+ 210.92972 129.9
[M+HCOO]- 272.93066 132.1
[M+CH3COO]- 286.94631 142.5
[M+Na-2H]- 248.90713 144.9
[M]+ 227.93191 134.9
[M]- 227.93301 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.