CID 70449

S,s-dipropyl methylphosphonodithioate

Structural Information

Molecular Formula
C7H17OPS2
SMILES
CCCSP(=O)(C)SCCC
InChI
InChI=1S/C7H17OPS2/c1-4-6-10-9(3,8)11-7-5-2/h4-7H2,1-3H3
InChIKey
OSYTXYVCVORGKQ-UHFFFAOYSA-N
Compound name
1-[methyl(propylsulfanyl)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04584 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05312 143.1
[M+Na]+ 235.03506 149.7
[M-H]- 211.03856 142.1
[M+NH4]+ 230.07966 163.2
[M+K]+ 251.00900 146.7
[M+H-H2O]+ 195.04310 135.3
[M+HCOO]- 257.04404 159.9
[M+CH3COO]- 271.05969 187.4
[M+Na-2H]- 233.02051 141.0
[M]+ 212.04529 148.7
[M]- 212.04639 148.7
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.