CID 120321

S,s,s-trimethyl phosphorotrithioate

Structural Information

Molecular Formula
C3H9OPS3
SMILES
CSP(=O)(SC)SC
InChI
InChI=1S/C3H9OPS3/c1-6-5(4,7-2)8-3/h1-3H3
InChIKey
LDMSZRWIHYAPSV-UHFFFAOYSA-N
Compound name
bis(methylsulfanyl)phosphorylsulfanylmethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

187.95532 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.962596 130.0
[M+Na]+ 210.944538 137.7
[M-H]- 186.948044 128.9
[M+NH4]+ 205.989143 150.3
[M+K]+ 226.918478 133.5
[M+H-H2O]+ 170.952580 122.2
[M+HCOO]- 232.953521 142.0
[M+CH3COO]- 246.969171 181.5
[M+Na-2H]- 208.929986 128.3
[M]+ 187.95477142 132.7
[M]- 187.95586858 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe