CID 198370

O,s-dimethyl methylphosphonothioate

Structural Information

Molecular Formula
C3H9O2PS
SMILES
COP(=O)(C)SC
InChI
InChI=1S/C3H9O2PS/c1-5-6(2,4)7-3/h1-3H3
InChIKey
XXJOBAQYIIOHIP-UHFFFAOYSA-N
Compound name
[methyl(methylsulfanyl)phosphoryl]oxymethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

24
Patents

140.00609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01337 125.3
[M+Na]+ 162.99531 133.9
[M-H]- 138.99881 125.3
[M+NH4]+ 158.03991 148.3
[M+K]+ 178.96925 133.9
[M+H-H2O]+ 123.00335 118.9
[M+HCOO]- 185.00429 149.3
[M+CH3COO]- 199.01994 172.4
[M+Na-2H]- 160.98076 127.5
[M]+ 140.00554 130.7
[M]- 140.00664 130.7
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.