CID 13583774

O-methyl s-methylthiomethyl methylphosphonothiolate

Structural Information

Molecular Formula
C4H11O2PS2
SMILES
COP(=O)(C)SCSC
InChI
InChI=1S/C4H11O2PS2/c1-6-7(2,5)9-4-8-3/h4H2,1-3H3
InChIKey
JEHHDTAKRSSSQV-UHFFFAOYSA-N
Compound name
[methoxy(methyl)phosphoryl]sulfanyl-methylsulfanylmethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.9938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00108 133.4
[M+Na]+ 208.98302 141.0
[M-H]- 184.98652 132.8
[M+NH4]+ 204.02762 154.4
[M+K]+ 224.95696 139.1
[M+H-H2O]+ 168.99106 126.0
[M+HCOO]- 230.99200 151.4
[M+CH3COO]- 245.00765 180.4
[M+Na-2H]- 206.96847 132.9
[M]+ 185.99325 139.2
[M]- 185.99435 139.2
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.