CID 77740

O-methyl s,s-dipropyl phosphorotrithioate

Structural Information

Molecular Formula
C7H17OPS3
SMILES
CCCSP(=S)(OC)SCCC
InChI
InChI=1S/C7H17OPS3/c1-4-6-11-9(10,8-3)12-7-5-2/h4-7H2,1-3H3
InChIKey
MHXLFSCMPIFFLS-UHFFFAOYSA-N
Compound name
methoxy-bis(propylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01791 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02519 146.5
[M+Na]+ 267.00713 152.5
[M-H]- 243.01063 144.6
[M+NH4]+ 262.05173 164.6
[M+K]+ 282.98107 147.3
[M+H-H2O]+ 227.01517 137.9
[M+HCOO]- 289.01611 157.3
[M+CH3COO]- 303.03176 193.0
[M+Na-2H]- 264.99258 143.2
[M]+ 244.01736 150.6
[M]- 244.01846 150.6
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.